 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Chair_STD_wB97XD-augccpVDZr.in
 Output=28_pantolactone_Chair_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/28_pantolactone_Chair_STD/Gau-47145.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/28_pantolactone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     47147.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=28_pantolactone_Chair_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 00:03:04 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Chair_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.391473000000     -0.248303000000     -0.123357000000
  C                                                -0.243522000000      0.655863000000     -0.542507000000
  C                                                 0.981653000000     -0.084895000000      0.017922000000
  C                                                 0.496618000000     -1.529573000000     -0.204524000000
  O                                                -0.939721000000     -1.510078000000      0.006228000000
  O                                                -2.521298000000      0.090990000000      0.087826000000
  O                                                -0.412527000000      1.974539000000     -0.102863000000
  H                                                -0.197683000000      0.620961000000     -1.642905000000
  H                                                 0.917744000000     -2.241771000000      0.501987000000
  H                                                 0.687270000000     -1.873494000000     -1.223519000000
  H                                                -1.358566000000      2.100303000000      0.062355000000
  C                                                 1.149948000000      0.199957000000      1.512528000000
  C                                                 2.267170000000      0.215237000000     -0.742530000000
  H                                                 0.252859000000     -0.059462000000      2.077615000000
  H                                                 1.351897000000      1.256730000000      1.677591000000
  H                                                 1.982205000000     -0.382220000000      1.911899000000
  H                                                 2.149353000000      0.028869000000     -1.811924000000
  H                                                 3.090365000000     -0.403337000000     -0.378159000000
  H                                                 2.550560000000      1.260108000000     -0.609664000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          16          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1          12          12           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 00:03:04 2021, MaxMem= 10737418240 cpu:               2.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.520196   0.000000
     3  C    2.382937   1.537484   0.000000
     4  C    2.283228   2.331988   1.540077   0.000000
     5  O    1.346458   2.340321   2.392271   1.451849   0.000000
     6  O    1.198425   2.429952   3.508060   3.437951   2.251991
     7  O    2.428947   1.400270   2.489899   3.621558   3.525959
     8  H    2.118910   1.101905   2.155786   2.678767   2.794922
     9  H    3.114073   3.291776   2.211451   1.087994   2.057019
    10  H    2.858807   2.779892   2.197026   1.092237   2.071581
    11  H    2.356167   1.922391   3.202138   4.085209   3.635029
    12  C    3.055467   2.524436   1.530788   2.523169   3.091905
    13  C    3.739507   2.556899   1.523457   2.543357   3.717728
    14  H    2.753864   2.761000   2.184977   2.725583   2.795922
    15  H    3.610349   2.799150   2.165996   3.469487   3.962347
    16  H    3.942322   3.472115   2.162558   2.828893   3.666237
    17  H    3.932624   2.780358   2.173661   2.782806   3.900822
    18  H    4.491751   3.501959   2.169090   2.833034   4.196930
    19  H    4.248697   2.859461   2.159714   3.487856   4.498368
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.833908   0.000000
     8  H    2.945418   2.061568   0.000000
     9  H    4.176160   4.462369   3.746995   0.000000
    10  H    3.984185   4.156054   2.679801   1.779359   0.000000
    11  H    2.321623   0.968557   2.538506   4.922242   4.650804
    12  C    3.939505   2.863557   3.456893   2.652762   3.463989
    13  C    4.861518   3.268806   2.655332   3.067028   2.662749
    14  H    3.417286   3.055222   3.808967   2.772571   3.791690
    15  H    4.346026   2.607385   3.719018   3.716187   4.319314
    16  H    4.881876   3.917693   4.288929   2.564929   3.705617
    17  H    5.042607   3.642767   2.426462   3.467975   2.470403
    18  H    5.652633   4.242680   3.668791   2.979057   2.941235
    19  H    5.251388   3.089845   3.004819   4.020574   3.697043
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.465106   0.000000
    13  C    4.165006   2.516685   0.000000
    14  H    3.364899   1.091508   3.476511   0.000000
    15  H    3.266070   1.088484   2.789161   1.760757   0.000000
    16  H    4.554611   1.091366   2.735718   1.766995   1.771538
    17  H    4.484335   3.475638   1.091887   4.328164   3.784216
    18  H    5.123988   2.775586   1.092268   3.768357   3.162942
    19  H    4.054479   2.754874   1.090742   3.773879   2.582313
                   16         17         18         19
    16  H    0.000000
    17  H    3.750172   0.000000
    18  H    2.544176   1.768612   0.000000
    19  H    3.062442   1.767016   1.764096   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4218185           1.5727158           1.2192347
 Leave Link  202 at Fri Jul  9 00:03:05 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     14     15     16     17     18     19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      6      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 332 were deleted.
 There are   315 symmetry adapted cartesian basis functions of A   symmetry.
 There are   297 symmetry adapted basis functions of A   symmetry.
   297 basis functions,   543 primitive gaussians,   315 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.2901348258 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0125119413 Hartrees.
 Nuclear repulsion after empirical dispersion term =      497.2776228845 Hartrees.
 Leave Link  301 at Fri Jul  9 00:03:07 2021, MaxMem= 10737418240 cpu:              34.6 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   297 RedAO= T EigKep=  7.61D-06  NBF=   297
 NBsUse=   297 1.00D-06 EigRej= -1.00D+00 NBFU=   297
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   315   315   315   315   315 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Jul  9 00:03:08 2021, MaxMem= 10737418240 cpu:               8.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 00:03:09 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Chair_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 00:03:10 2021, MaxMem= 10737418240 cpu:               7.9 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737211671 LenY= 10737112005
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.260924029853    
 DIIS: error= 1.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.260924029853     IErMin= 1 ErrMin= 1.77D-03
 ErrMax= 1.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.29D-03 BMatP= 6.29D-03
 IDIUse=3 WtCom= 9.82D-01 WtEn= 1.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.432 Goal=   None    Shift=    0.000
 GapD=    0.432 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=9.55D-03 MaxDP=8.34D-01              OVMax= 1.39D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.54D-03    CP:  1.02D+00
 E= -460.265944818883     Delta-E=       -0.005020789031 Rises=F Damp=F
 DIIS: error= 4.37D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.265944818883     IErMin= 2 ErrMin= 4.37D-04
 ErrMax= 4.37D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.80D-04 BMatP= 6.29D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.37D-03
 Coeff-Com: -0.156D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.156D-01 0.102D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 RMSDP=1.32D-03 MaxDP=9.70D-02 DE=-5.02D-03 OVMax= 4.51D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.83D-04    CP:  1.02D+00  1.12D+00
 E= -460.266034918616     Delta-E=       -0.000090099733 Rises=F Damp=F
 DIIS: error= 4.90D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -460.266034918616     IErMin= 2 ErrMin= 4.37D-04
 ErrMax= 4.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-04 BMatP= 1.80D-04
 IDIUse=3 WtCom= 3.11D-01 WtEn= 6.89D-01
 Coeff-Com: -0.414D-01 0.539D+00 0.502D+00
 Coeff-En:   0.000D+00 0.286D+00 0.714D+00
 Coeff:     -0.129D-01 0.365D+00 0.648D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.83D-04 MaxDP=1.41D-02 DE=-9.01D-05 OVMax= 2.45D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.06D-04    CP:  1.02D+00  1.13D+00  1.15D+00
 E= -460.266147348059     Delta-E=       -0.000112429443 Rises=F Damp=F
 DIIS: error= 2.16D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.266147348059     IErMin= 4 ErrMin= 2.16D-04
 ErrMax= 2.16D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.95D-05 BMatP= 1.80D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.16D-03
 Coeff-Com: -0.330D-02-0.459D-01 0.297D+00 0.752D+00
 Coeff-En:   0.000D+00 0.000D+00 0.137D+00 0.863D+00
 Coeff:     -0.330D-02-0.458D-01 0.297D+00 0.752D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.25D-04 MaxDP=1.05D-02 DE=-1.12D-04 OVMax= 9.63D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.86D-05    CP:  1.02D+00  1.14D+00  1.29D+00  1.01D+00
 E= -460.266176290228     Delta-E=       -0.000028942169 Rises=F Damp=F
 DIIS: error= 2.41D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.266176290228     IErMin= 5 ErrMin= 2.41D-05
 ErrMax= 2.41D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.25D-07 BMatP= 3.95D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-02-0.572D-01 0.625D-01 0.265D+00 0.727D+00
 Coeff:      0.208D-02-0.572D-01 0.625D-01 0.265D+00 0.727D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.85D-05 MaxDP=2.24D-03 DE=-2.89D-05 OVMax= 2.05D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.23D-06    CP:  1.02D+00  1.14D+00  1.32D+00  1.09D+00  1.21D+00
 E= -460.266176752697     Delta-E=       -0.000000462469 Rises=F Damp=F
 DIIS: error= 5.78D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.266176752697     IErMin= 6 ErrMin= 5.78D-06
 ErrMax= 5.78D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-08 BMatP= 4.25D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.985D-03-0.163D-01-0.102D-02 0.352D-01 0.269D+00 0.712D+00
 Coeff:      0.985D-03-0.163D-01-0.102D-02 0.352D-01 0.269D+00 0.712D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=6.22D-06 MaxDP=4.77D-04 DE=-4.62D-07 OVMax= 8.09D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.37D-06    CP:  1.02D+00  1.14D+00  1.33D+00  1.11D+00  1.27D+00
                    CP:  1.11D+00
 E= -460.266176796774     Delta-E=       -0.000000044077 Rises=F Damp=F
 DIIS: error= 3.54D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.266176796774     IErMin= 7 ErrMin= 3.54D-06
 ErrMax= 3.54D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.84D-09 BMatP= 4.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.197D-03-0.284D-03-0.886D-02-0.192D-01 0.280D-01 0.335D+00
 Coeff-Com:  0.665D+00
 Coeff:      0.197D-03-0.284D-03-0.886D-02-0.192D-01 0.280D-01 0.335D+00
 Coeff:      0.665D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.07D-06 MaxDP=1.51D-04 DE=-4.41D-08 OVMax= 4.99D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  8.47D-07    CP:  1.02D+00  1.14D+00  1.33D+00  1.12D+00  1.30D+00
                    CP:  1.17D+00  1.19D+00
 E= -460.266176806223     Delta-E=       -0.000000009450 Rises=F Damp=F
 DIIS: error= 1.17D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.266176806223     IErMin= 8 ErrMin= 1.17D-06
 ErrMax= 1.17D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-09 BMatP= 9.84D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.748D-04 0.253D-02-0.351D-02-0.141D-01-0.330D-01 0.212D-01
 Coeff-Com:  0.283D+00 0.744D+00
 Coeff:     -0.748D-04 0.253D-02-0.351D-02-0.141D-01-0.330D-01 0.212D-01
 Coeff:      0.283D+00 0.744D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=7.03D-07 MaxDP=3.25D-05 DE=-9.45D-09 OVMax= 1.49D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.70D-07    CP:  1.02D+00  1.14D+00  1.33D+00  1.12D+00  1.31D+00
                    CP:  1.19D+00  1.28D+00  1.24D+00
 E= -460.266176807551     Delta-E=       -0.000000001327 Rises=F Damp=F
 DIIS: error= 3.27D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.266176807551     IErMin= 9 ErrMin= 3.27D-07
 ErrMax= 3.27D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.30D-10 BMatP= 1.26D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.490D-04 0.104D-02-0.469D-03-0.361D-02-0.161D-01-0.290D-01
 Coeff-Com:  0.498D-01 0.307D+00 0.691D+00
 Coeff:     -0.490D-04 0.104D-02-0.469D-03-0.361D-02-0.161D-01-0.290D-01
 Coeff:      0.498D-01 0.307D+00 0.691D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.94D-07 MaxDP=1.23D-05 DE=-1.33D-09 OVMax= 5.64D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  1.02D+00  1.14D+00  1.33D+00  1.12D+00  1.31D+00
                    CP:  1.20D+00  1.30D+00  1.33D+00  1.14D+00
 E= -460.266176807716     Delta-E=       -0.000000000166 Rises=F Damp=F
 DIIS: error= 1.20D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.266176807716     IErMin=10 ErrMin= 1.20D-07
 ErrMax= 1.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-11 BMatP= 1.30D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.113D-04 0.106D-03 0.254D-03 0.347D-03-0.202D-02-0.147D-01
 Coeff-Com: -0.146D-01 0.113D-01 0.258D+00 0.762D+00
 Coeff:     -0.113D-04 0.106D-03 0.254D-03 0.347D-03-0.202D-02-0.147D-01
 Coeff:     -0.146D-01 0.113D-01 0.258D+00 0.762D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.02D-07 MaxDP=9.64D-06 DE=-1.66D-10 OVMax= 1.55D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.29D-08    CP:  1.02D+00  1.14D+00  1.33D+00  1.12D+00  1.31D+00
                    CP:  1.19D+00  1.31D+00  1.35D+00  1.20D+00  1.18D+00
 E= -460.266176807714     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -460.266176807716     IErMin=11 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-12 BMatP= 1.60D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.395D-05-0.116D-03 0.115D-03 0.577D-03 0.178D-02 0.101D-03
 Coeff-Com: -0.820D-02-0.398D-01-0.207D-01 0.178D+00 0.888D+00
 Coeff:      0.395D-05-0.116D-03 0.115D-03 0.577D-03 0.178D-02 0.101D-03
 Coeff:     -0.820D-02-0.398D-01-0.207D-01 0.178D+00 0.888D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.21D-08 MaxDP=3.19D-06 DE= 2.27D-12 OVMax= 6.71D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.50D-08    CP:  1.02D+00  1.14D+00  1.33D+00  1.12D+00  1.31D+00
                    CP:  1.19D+00  1.31D+00  1.35D+00  1.22D+00  1.26D+00
                    CP:  1.22D+00
 E= -460.266176807723     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 9.72D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -460.266176807723     IErMin=12 ErrMin= 9.72D-09
 ErrMax= 9.72D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.38D-14 BMatP= 1.10D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.168D-05-0.348D-04 0.744D-05 0.114D-03 0.584D-03 0.847D-03
 Coeff-Com: -0.738D-03-0.114D-01-0.218D-01-0.104D-01 0.224D+00 0.819D+00
 Coeff:      0.168D-05-0.348D-04 0.744D-05 0.114D-03 0.584D-03 0.847D-03
 Coeff:     -0.738D-03-0.114D-01-0.218D-01-0.104D-01 0.224D+00 0.819D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=6.75D-09 MaxDP=3.73D-07 DE=-8.87D-12 OVMax= 1.98D-07

 SCF Done:  E(RwB97XD) =  -460.266176808     A.U. after   12 cycles
            NFock= 12  Conv=0.68D-08     -V/T= 2.0061
 KE= 4.574915539710D+02 PE=-2.070040465338D+03 EE= 6.550051116753D+02
 Leave Link  502 at Fri Jul  9 00:05:19 2021, MaxMem= 10737418240 cpu:            2063.7 elap:             129.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   297
 NBasis=   297 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    297 NOA=    35 NOB=    35 NVA=   262 NVB=   262

 **** Warning!!: The largest alpha MO coefficient is  0.80316957D+02

 Leave Link  801 at Fri Jul  9 00:05:20 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5887 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.53D-13 8.33D-09 XBig12= 1.00D+00 2.20D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.53D-13 8.33D-09 XBig12= 1.82D-01 4.43D-02.
     11 vectors produced by pass  2 Test12= 1.53D-13 8.33D-09 XBig12= 3.41D-02 3.34D-02.
     11 vectors produced by pass  3 Test12= 1.53D-13 8.33D-09 XBig12= 2.12D-03 9.70D-03.
     11 vectors produced by pass  4 Test12= 1.53D-13 8.33D-09 XBig12= 1.59D-04 2.28D-03.
     11 vectors produced by pass  5 Test12= 1.53D-13 8.33D-09 XBig12= 1.04D-05 4.43D-04.
     11 vectors produced by pass  6 Test12= 1.53D-13 8.33D-09 XBig12= 3.20D-07 6.18D-05.
     11 vectors produced by pass  7 Test12= 1.53D-13 8.33D-09 XBig12= 6.26D-09 8.35D-06.
     11 vectors produced by pass  8 Test12= 1.53D-13 8.33D-09 XBig12= 1.24D-10 1.19D-06.
      9 vectors produced by pass  9 Test12= 1.53D-13 8.33D-09 XBig12= 2.19D-12 1.40D-07.
      6 vectors produced by pass 10 Test12= 1.53D-13 8.33D-09 XBig12= 3.25D-14 1.76D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   114 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.923719D+02
      2 -0.426696D+01  0.803223D+02
      3 -0.185447D+01  0.839219D+00  0.730617D+02
 Isotropic polarizability for W=    0.085645       81.92 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.343514D+02  0.140273D+02  0.464637D+01
      2  -0.204107D+02 -0.736277D+01 -0.874275D+00
      3  -0.139407D+02 -0.666450D+01 -0.377210D+01
      4   0.247011D+01  0.504576D+02  0.543081D+00
      5   0.756285D+01  0.590222D+00  0.813979D+02
      6  -0.309724D+00  0.454436D+01 -0.357747D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.902481D+00 -0.156654D+01 -0.644819D+00
      2   0.372266D+01  0.889410D+00  0.353606D+02
      3  -0.140644D+02 -0.190395D+02 -0.200511D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.471411D-01  0.541864D+01 -0.308703D+01
      2  -0.291648D+01  0.852805D+00  0.953386D+02
      3  -0.115571D+02 -0.708683D+02 -0.899946D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.356235D+00 -0.226260D+00  0.184679D+01
      2  -0.226260D+00 -0.338295D+00 -0.102148D+01
      3   0.184679D+01 -0.102148D+01 -0.231522D+00
 OR G Eigenvalues:    -2.0637    -0.3663     2.2164  Iso=     0.0712
 Eigenvectors:
   (1)  -0.539914   0.375257   0.753442
   (2)   0.486983   0.869361  -0.084020
   (3)   0.686542  -0.321550   0.652124
 w=    0.085645 a.u., Optical Rotation Beta=      0.0712 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =       25.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   44253 ScalPx= 6.24D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.41D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.55D-14 2.78D-09 XBig12= 1.00D+00 3.59D-01.
     30 vectors produced by pass  1 Test12= 2.55D-14 2.78D-09 XBig12= 2.43D-02 2.43D-02.
     30 vectors produced by pass  2 Test12= 2.55D-14 2.78D-09 XBig12= 1.93D-03 7.95D-03.
     30 vectors produced by pass  3 Test12= 2.55D-14 2.78D-09 XBig12= 2.55D-05 8.66D-04.
     30 vectors produced by pass  4 Test12= 2.55D-14 2.78D-09 XBig12= 4.05D-07 1.11D-04.
     30 vectors produced by pass  5 Test12= 2.55D-14 2.78D-09 XBig12= 5.53D-09 6.84D-06.
     30 vectors produced by pass  6 Test12= 2.55D-14 2.78D-09 XBig12= 4.72D-11 5.84D-07.
     30 vectors produced by pass  7 Test12= 2.55D-14 2.78D-09 XBig12= 3.37D-13 4.63D-08.
      1 vectors produced by pass  8 Test12= 2.55D-14 2.78D-09 XBig12= 2.38D-15 4.06D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.11D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 2.41D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   44253 ScalPx= 2.41D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   44253 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.60D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.923719D+02 -0.426696D+01 -0.185447D+01
      2  -0.426696D+01  0.803223D+02  0.839219D+00
      3  -0.185447D+01  0.839219D+00  0.730617D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.902481D+00 -0.156654D+01 -0.644819D+00
      2   0.372266D+01  0.889410D+00  0.353606D+02
      3  -0.140644D+02 -0.190395D+02 -0.200511D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.343514D+02  0.140273D+02  0.464637D+01
      2  -0.204107D+02 -0.736277D+01 -0.874275D+00
      3  -0.139407D+02 -0.666450D+01 -0.377210D+01
      4   0.247011D+01  0.504576D+02  0.543081D+00
      5   0.756285D+01  0.590222D+00  0.813979D+02
      6  -0.309724D+00  0.454436D+01 -0.357747D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.749138D+01 -0.254184D+01 -0.419585D+00 -0.178988D+01 -0.136916D+01
      2  -0.254184D+01  0.322884D+00  0.139257D+00 -0.136916D+01  0.519553D+00
      3  -0.419585D+00  0.139257D+00 -0.710086D-01  0.190516D+00  0.970313D-01
                 6             7             8             9            10 
      1   0.190516D+00 -0.144275D+01  0.329864D-01  0.277806D+00 -0.341133D+01
      2   0.970313D-01  0.329864D-01 -0.499475D+00 -0.295703D+00  0.256602D+01
      3  -0.739501D+00  0.277806D+00 -0.295703D+00 -0.852619D+00 -0.133433D+01
                11            12            13            14            15 
      1   0.256602D+01 -0.133433D+01  0.319752D+01  0.539045D+00 -0.130077D-01
      2   0.559699D-01  0.479518D-01  0.539045D+00 -0.147715D+01 -0.332191D+00
      3   0.479518D-01 -0.896966D+00 -0.130077D-01 -0.332191D+00  0.223488D+01
                16            17            18            19            20 
      1  -0.879933D+00  0.671964D+00 -0.713547D+00  0.198928D+01 -0.198318D+01
      2   0.671964D+00 -0.110346D+01  0.832651D+00 -0.198318D+01  0.310022D+01
      3  -0.713547D+00  0.832651D+00  0.743421D+01  0.364283D+01  0.136986D+00
                21            22            23            24            25 
      1   0.364283D+01 -0.232259D+01  0.275610D+01 -0.194264D+00  0.392832D+01
      2   0.136986D+00  0.275610D+01  0.334378D+01  0.153378D+01 -0.414059D-01
      3  -0.722602D+00 -0.194264D+00  0.153378D+01 -0.211571D+01 -0.690797D+00
                26            27            28            29            30 
      1  -0.414059D-01 -0.690797D+00  0.242628D+01  0.401682D+00 -0.120976D+01
      2   0.111524D+01 -0.192573D+01  0.401682D+00 -0.295950D+01 -0.144536D+00
      3  -0.192573D+01 -0.691604D+01 -0.120976D+01 -0.144536D+00 -0.252280D+01
                31            32            33            34            35 
      1  -0.558486D-01 -0.276380D+01  0.466212D+00 -0.110490D+01  0.273952D+00
      2  -0.276380D+01 -0.117096D+01 -0.141761D+01  0.273952D+00 -0.136262D+01
      3   0.466212D+00 -0.141761D+01  0.242147D+01 -0.172337D+01  0.389418D+01
                36            37            38            39            40 
      1  -0.172337D+01 -0.404860D+01 -0.225273D+01  0.326208D+00 -0.187798D+01
      2   0.389418D+01 -0.225273D+01 -0.756881D+00  0.316987D+00 -0.373037D+00
      3   0.393132D+01  0.326208D+00  0.316987D+00  0.730232D+00 -0.173546D+00
                41            42            43            44            45 
      1  -0.373037D+00 -0.173546D+00  0.680585D+00  0.212520D+00 -0.545795D+00
      2  -0.549015D+01  0.473704D+00  0.212520D+00  0.638354D+00 -0.149308D+01
      3   0.473704D+00 -0.861087D+00 -0.545795D+00 -0.149308D+01  0.639733D+00
                46            47            48            49            50 
      1  -0.171106D+02  0.259084D+01  0.907167D+00  0.200908D+01 -0.294238D+01
      2   0.259084D+01 -0.326511D+01 -0.177257D+00 -0.294238D+01  0.235732D+01
      3   0.907167D+00 -0.177257D+00 -0.184736D+01 -0.136736D+00  0.329408D+00
                51            52            53            54            55 
      1  -0.136736D+00  0.202843D+01 -0.215779D+00 -0.361794D+01  0.398066D+01
      2   0.329408D+00 -0.215779D+00  0.635017D+00  0.779709D+00 -0.356965D+00
      3   0.842951D+00 -0.361794D+01  0.779709D+00  0.124427D+01  0.813084D-01
                56            57            58            59            60 
      1  -0.356965D+00  0.813084D-01 -0.266384D+00 -0.308003D-01  0.300841D+00
      2   0.350165D+01  0.226120D+00 -0.308003D-01  0.633647D+01 -0.356043D+00
      3   0.226120D+00  0.111962D+01  0.300841D+00 -0.356043D+00 -0.528749D+00
                61            62            63            64            65 
      1  -0.681536D+00 -0.108241D-02  0.394813D+00  0.852105D+00 -0.367529D+00
      2  -0.108241D-02  0.120527D+00  0.100930D+01 -0.367529D+00 -0.102349D+00
      3   0.394813D+00  0.100930D+01 -0.332598D+00 -0.104381D+01  0.489389D-01
                66            67            68            69            70 
      1  -0.104381D+01 -0.510378D+00 -0.198760D+00  0.217158D-01 -0.180367D+01
      2   0.489389D-01 -0.198760D+00  0.447371D+00 -0.122133D+01  0.188769D-01
      3   0.411490D+00  0.217158D-01 -0.122133D+01 -0.222295D+00  0.915868D-01
                71            72            73            74            75 
      1   0.188769D-01  0.915868D-01  0.174286D+01 -0.169542D+01  0.115395D+01
      2  -0.168081D+01  0.382731D+00 -0.169542D+01  0.239574D+01 -0.750585D+00
      3   0.382731D+00 -0.937919D+01  0.115395D+01 -0.750585D+00  0.110652D+01
                76            77            78            79            80 
      1  -0.147393D+01  0.192404D+01 -0.551215D+00  0.161311D+01 -0.102185D+01
      2   0.192404D+01 -0.536822D+01  0.188193D+01 -0.102185D+01  0.345577D+01
      3  -0.551215D+00  0.188193D+01 -0.179155D+01  0.124369D+01 -0.246602D+01
                81            82            83            84            85 
      1   0.124369D+01  0.683495D+00 -0.803240D+00 -0.127982D+01 -0.550966D+00
      2  -0.246602D+01 -0.803240D+00  0.827136D+00  0.522033D+00  0.963243D+00
      3   0.194609D+01 -0.127982D+01  0.522033D+00  0.106519D+01  0.243553D+00
                86            87            88            89            90 
      1   0.963243D+00  0.243553D+00 -0.215217D+01  0.500091D+00  0.143828D+01
      2  -0.243568D+01 -0.169965D+01  0.500091D+00 -0.302875D+01 -0.358721D+01
      3  -0.169965D+01 -0.185078D+01  0.143828D+01 -0.358721D+01 -0.641073D+01
                91            92            93            94            95 
      1  -0.482511D+01  0.215566D+01  0.449381D+00  0.150118D+01 -0.138116D+01
      2   0.215566D+01 -0.421006D+01 -0.289437D+00 -0.138116D+01  0.162261D+01
      3   0.449381D+00 -0.289437D+00 -0.115750D+01 -0.186384D+00  0.139092D+00
                96            97            98            99           100 
      1  -0.186384D+00  0.911797D+00 -0.333206D+00 -0.599685D+00  0.743421D-01
      2   0.139092D+00 -0.333206D+00  0.817177D+00  0.698657D+00  0.264802D+01
      3   0.529180D+00 -0.599685D+00  0.698657D+00  0.441335D+00 -0.439802D+01
               101           102           103           104           105 
      1   0.264802D+01 -0.439802D+01  0.293244D+01 -0.259930D+01  0.450440D+00
      2  -0.201452D+01  0.406247D+00 -0.259930D+01 -0.431145D+01 -0.247272D+01
      3   0.406247D+00  0.144509D+01  0.450440D+00 -0.247272D+01  0.207928D+01
               106           107           108           109           110 
      1  -0.385364D+01  0.237999D+00  0.127214D+01 -0.913288D+00  0.258141D+01
      2   0.237999D+00 -0.117572D+01  0.178268D+01  0.258141D+01 -0.293579D+01
      3   0.127214D+01  0.178268D+01  0.413429D+01 -0.330637D+01  0.253367D+00
               111           112           113           114           115 
      1  -0.330637D+01  0.287217D+01 -0.357258D+01  0.209695D+00 -0.356147D+01
      2   0.253367D+00 -0.357258D+01 -0.428519D+01 -0.952083D+00  0.264147D+00
      3   0.160167D+01  0.209695D+00 -0.952083D+00  0.183710D+01  0.685245D+00
               116           117           118           119           120 
      1   0.264147D+00  0.685245D+00 -0.383824D+01 -0.833293D+00  0.236168D+01
      2  -0.110549D+01  0.158467D+01 -0.833293D+00 -0.867938D+00  0.251599D+00
      3   0.158467D+01  0.661087D+01  0.236168D+01  0.251599D+00 -0.371812D+01
               121           122           123           124           125 
      1  -0.983922D+00 -0.484170D+00  0.358706D+00  0.208244D+01  0.220078D+00
      2  -0.484170D+00 -0.114312D+00  0.966156D+00  0.220078D+00  0.821314D+00
      3   0.358706D+00  0.966156D+00 -0.120352D+01 -0.198831D+01 -0.601829D+00
               126           127           128           129           130 
      1  -0.198831D+01  0.756295D+00  0.877626D+00  0.801375D+00  0.157271D+01
      2  -0.601829D+00  0.877626D+00  0.118069D+01  0.367193D+00  0.166694D+01
      3   0.351113D+01  0.801375D+00  0.367193D+00  0.237271D+00  0.835781D+00
               131           132           133           134           135 
      1   0.166694D+01  0.835781D+00  0.545024D+00  0.277116D+00  0.215378D+00
      2   0.651741D+01  0.230836D+01  0.277116D+00  0.125438D+01  0.106643D+01
      3   0.230836D+01  0.252844D+01  0.215378D+00  0.106643D+01  0.768988D+00
               136           137           138           139           140 
      1   0.480041D+01 -0.174445D+01  0.285614D+01 -0.255823D+01  0.177146D+01
      2  -0.174445D+01  0.176096D+01 -0.894525D+00  0.177146D+01 -0.148872D+01
      3   0.285614D+01 -0.894525D+00  0.259459D+01 -0.136210D+01  0.141893D+01
               141           142           143           144           145 
      1  -0.136210D+01  0.191749D+01 -0.655212D+00  0.160814D+01 -0.169611D+00
      2   0.141893D+01 -0.655212D+00  0.844356D+00 -0.103837D+01 -0.367698D+00
      3  -0.218864D+01  0.160814D+01 -0.103837D+01  0.205450D+01 -0.553207D+00
               146           147           148           149           150 
      1  -0.367698D+00 -0.553207D+00 -0.704047D+00  0.485928D+00  0.166793D+00
      2   0.549599D-01 -0.480067D-01  0.485928D+00 -0.237330D-01 -0.966791D+00
      3  -0.480067D-01 -0.617114D+00  0.166793D+00 -0.966791D+00 -0.118759D+01
               151           152           153           154           155 
      1  -0.170715D+01 -0.564526D-01  0.133245D+01  0.742253D+01 -0.229358D+01
      2  -0.564526D-01 -0.116768D+01 -0.624320D+00 -0.229358D+01  0.202215D+01
      3   0.133245D+01 -0.624320D+00 -0.875628D+01  0.782145D+00 -0.325442D+00
               156           157           158           159           160 
      1   0.782145D+00 -0.401223D+01  0.242165D+01 -0.208266D+00  0.258019D+01
      2  -0.325442D+00  0.242165D+01 -0.166817D+01  0.405781D+00 -0.560478D+00
      3   0.101751D+01 -0.208266D+00  0.405781D+00 -0.108312D+01  0.949326D+00
               161           162           163           164           165 
      1  -0.560478D+00  0.949326D+00  0.209718D+01  0.141866D+01  0.182718D+00
      2   0.841675D+00 -0.676322D+00  0.141866D+01  0.188979D+01 -0.868915D-01
      3  -0.676322D+00  0.319693D+00  0.182718D+00 -0.868915D-01  0.224296D+00
               166           167           168           169           170 
      1   0.302130D+01  0.318673D+01 -0.418736D+00  0.899843D+00  0.175737D+00
      2   0.318673D+01  0.668922D+01 -0.135758D+00  0.175737D+00  0.580197D+00
      3  -0.418736D+00 -0.135758D+00  0.129923D+01  0.370578D+00  0.677581D+00
               171 
      1   0.370578D+00
      2   0.677581D+00
      3  -0.388952D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.939989D+00  0.397937D+01 -0.881831D+00  0.289227D+01  0.172001D+01
      2  -0.188732D+01 -0.312374D+01 -0.999503D+01 -0.233262D+01 -0.765531D+00
      3  -0.186050D+01  0.812716D+01  0.111466D+01  0.190493D+00 -0.304482D+01
                 6             7             8             9            10 
      1   0.441530D+01  0.857031D+00  0.124780D+02 -0.186797D+01  0.263504D+00
      2   0.287350D+01 -0.136864D+02 -0.317952D+01  0.368051D+01 -0.348928D+01
      3  -0.155481D+01  0.285929D+01 -0.560250D+01  0.309539D+00  0.139017D+01
                11            12            13            14            15 
      1  -0.109242D+01 -0.250427D+01 -0.198077D+01  0.876838D+00 -0.706600D+00
      2   0.223498D+01  0.118787D+01  0.398607D+01  0.458002D+00  0.350940D+01
      3  -0.239332D+01 -0.691216D+00  0.685950D+01 -0.836394D+00  0.113776D+01
                16            17            18            19            20 
      1  -0.120666D+01  0.222242D+01 -0.140461D+01 -0.587728D+00 -0.170391D+00
      2  -0.252673D+01  0.694907D+00 -0.449601D+01  0.829261D+01 -0.181818D+00
      3  -0.674601D+00  0.226193D+01 -0.173357D+01  0.283113D+01 -0.845114D+01
                21            22            23            24            25 
      1   0.694480D+00 -0.272626D+00  0.505175D+00 -0.585519D+01  0.436167D+00
      2   0.381760D+01 -0.815979D+00  0.187734D+01 -0.273239D+01 -0.510405D+01
      3  -0.961325D-02 -0.216661D+00 -0.587545D+01 -0.277276D+01  0.633456D+00
                26            27            28            29            30 
      1   0.239698D+01 -0.102843D+01 -0.112334D+00  0.203832D+01 -0.457313D+01
      2  -0.244987D+01 -0.487569D+01 -0.170435D+01  0.609200D+00 -0.259540D+01
      3  -0.233615D+01  0.194219D+01 -0.105310D+02  0.174130D+01  0.885369D+00
                31            32            33            34            35 
      1   0.304621D+01 -0.357046D+01  0.557002D+01 -0.291162D+01  0.122652D+02
      2  -0.270459D+00 -0.249310D+01  0.193581D+01 -0.634381D+01  0.489031D+01
      3   0.426019D+01  0.594088D+01  0.166481D+01  0.286951D+00  0.134349D+01
                36            37            38            39            40 
      1   0.643343D+01 -0.327762D+00 -0.157513D+01 -0.297716D+00  0.115318D+01
      2   0.286102D+01 -0.358596D+00  0.128756D+01  0.625274D+01  0.672718D+00
      3   0.122293D+01  0.100576D+02 -0.274411D+01 -0.108939D+01  0.114069D+02
                41            42            43            44            45 
      1   0.164401D+01 -0.659899D+01 -0.445712D+01 -0.184229D+01  0.182786D+01
      2  -0.327787D+00 -0.622115D+00 -0.311487D+01  0.376882D+01 -0.144625D+01
      3  -0.494321D+01 -0.113763D+00 -0.330908D+01  0.607632D+00 -0.307089D+00
                46            47            48            49            50 
      1   0.136810D+01 -0.107961D+01  0.141245D+01 -0.953953D+00 -0.300367D+00
      2  -0.305705D+01  0.326881D+00  0.142753D+02  0.111479D+01 -0.624870D+00
      3   0.884217D+01 -0.194426D+02 -0.607500D+00 -0.222123D+01  0.905171D+01
                51            52            53            54            55 
      1  -0.349726D+01 -0.179890D+01  0.420661D+00  0.629916D+00  0.129505D+01
      2  -0.227890D+01  0.491049D+01  0.738071D+00 -0.440673D+01 -0.374627D+00
      3   0.763308D+00 -0.556815D+00  0.435788D+01  0.275453D+01  0.130515D+02
                56            57            58            59            60 
      1  -0.122853D+01 -0.193113D+01  0.132675D+00 -0.339151D+01 -0.638739D+01
      2   0.927569D+00  0.107445D+01 -0.607692D+00 -0.702554D+00 -0.118973D+01
      3  -0.522044D+00 -0.981872D+00  0.575959D+01  0.397860D+01  0.132333D+00
                61            62            63            64            65 
      1  -0.816676D+00  0.181579D+01 -0.191674D+01  0.228835D+00 -0.691866D-01
      2  -0.355867D+01  0.420364D+00 -0.110161D+00  0.207115D+01 -0.297820D+00
      3  -0.128972D+01  0.116656D+00  0.182344D+01  0.605276D+00 -0.100313D+01
                66            67            68            69            70 
      1   0.282835D+00 -0.354962D+00  0.523764D+00  0.445657D+00 -0.503108D+00
      2  -0.980478D-01 -0.988692D+00  0.407952D+00 -0.107772D+00 -0.471320D+01
      3  -0.508018D+00  0.276023D+00  0.131499D+00 -0.374495D+00 -0.896409D+00
                71            72            73            74            75 
      1   0.393222D+01  0.446243D+01  0.273557D+01 -0.171415D+01  0.299543D+01
      2   0.321805D+00  0.331483D+01  0.815050D+00 -0.783434D+00  0.208833D+01
      3  -0.759149D+00  0.658065D+00 -0.278786D+01 -0.742079D-01 -0.180085D+01
                76            77            78            79            80 
      1  -0.188625D+01  0.434152D+01 -0.563255D+01  0.295641D+01 -0.369677D+01
      2   0.254591D+00  0.179052D+01 -0.206795D+01 -0.899198D-01 -0.222112D+01
      3   0.432079D+01 -0.679656D+00 -0.117319D+00 -0.389152D+01 -0.111945D+01
                81            82            83            84            85 
      1   0.557282D+01 -0.236734D+01  0.656321D-01  0.207628D+01 -0.182555D+00
      2   0.212754D+01  0.100130D+00 -0.160250D+00  0.746888D+00 -0.646813D+00
      3  -0.978223D+00 -0.134619D+01 -0.466398D+00  0.226889D+01  0.150832D+01
                86            87            88            89            90 
      1  -0.157843D+01 -0.429565D+01  0.320584D+01 -0.263452D+01 -0.115650D+02
      2  -0.746178D+00 -0.147521D+01 -0.234125D+01 -0.247730D+01 -0.441739D+01
      3  -0.107615D+01  0.400311D+00  0.539487D+01  0.112810D+01 -0.141539D+01
                91            92            93            94            95 
      1  -0.231416D+01  0.142798D+01  0.292396D+01  0.292974D+00 -0.960469D+00
      2  -0.260131D+00  0.117533D+00  0.200251D+01  0.110988D+00  0.134963D+00
      3  -0.136567D+02 -0.145391D+01  0.144973D+01  0.125977D+01 -0.320376D+01
                96            97            98            99           100 
      1  -0.135570D+01  0.960448D+00 -0.605397D+00 -0.125521D+01  0.594824D+01
      2  -0.718537D+00 -0.407073D+00 -0.809742D+00 -0.391921D+00 -0.599009D+01
      3  -0.986803D-01  0.221211D+01 -0.289940D+00 -0.575550D+00 -0.329280D+01
               101           102           103           104           105 
      1  -0.415328D+01 -0.219075D+00 -0.516934D+01 -0.866607D+01 -0.857389D+01
      2  -0.426988D+01  0.141705D+02 -0.448483D+01  0.129312D+01  0.193815D+01
      3   0.180669D+01 -0.216788D+01  0.659551D+01  0.525528D+01  0.314516D+01
               106           107           108           109           110 
      1   0.514974D+00 -0.217045D+01  0.319760D+01 -0.128880D+01  0.294774D+01
      2   0.692068D+01  0.174013D+01  0.188847D+01 -0.106866D+02  0.268686D+01
      3  -0.148781D+01  0.221084D+01 -0.199436D+01 -0.735129D+01  0.694700D+01
               111           112           113           114           115 
      1  -0.621825D+00  0.402084D+01  0.450040D+01 -0.159660D+01  0.241032D+00
      2   0.184558D+01  0.306172D+01 -0.562038D+01  0.470214D+01 -0.456829D+01
      3  -0.135600D+01  0.152922D+02  0.111817D+02  0.164014D+01 -0.194255D+01
               116           117           118           119           120 
      1   0.203533D+01 -0.344948D+01 -0.222591D+01 -0.295804D+01  0.867748D+00
      2   0.386466D+01  0.182763D+02  0.128137D+02  0.238258D+01 -0.625505D+01
      3   0.303146D+01 -0.410633D+01 -0.136286D+00 -0.891133D+00  0.317841D+00
               121           122           123           124           125 
      1  -0.123775D+01 -0.713478D+00  0.784746D+00  0.109253D+01  0.309596D+01
      2   0.294949D+01  0.202544D+01 -0.158669D+01 -0.816640D+01 -0.117968D+01
      3   0.117819D+01 -0.153887D+00 -0.893294D+00 -0.385571D-04  0.160477D-02
               126           127           128           129           130 
      1  -0.172068D+01  0.132575D+01  0.205114D+01  0.263043D+00  0.229813D+01
      2   0.668840D+01  0.233314D+00 -0.799442D+00  0.142267D+00 -0.234072D+01
      3   0.523528D-01 -0.690500D+00 -0.193028D+01 -0.451245D+00  0.104747D+01
               131           132           133           134           135 
      1   0.126808D+02  0.175262D+00  0.759631D+00  0.291758D+01  0.157443D+01
      2   0.621462D+00  0.271433D+01 -0.149879D+01  0.831792D+00  0.726618D+00
      3  -0.918546D+01 -0.259108D+01 -0.106755D+00 -0.164902D+01 -0.169469D+01
               136           137           138           139           140 
      1  -0.392127D+01  0.460346D+01 -0.114049D+01  0.322711D+01 -0.362260D+01
      2  -0.523470D+01  0.215449D+01  0.119409D+01  0.349065D+01 -0.119137D+01
      3   0.231916D+01 -0.458662D+01  0.159652D+01 -0.139204D+01  0.317040D+01
               141           142           143           144           145 
      1   0.117300D+01 -0.165908D+01  0.302984D+01 -0.196606D+01  0.526191D+00
      2  -0.148360D+01 -0.304826D+01 -0.750328D-01  0.511608D+00 -0.234515D+01
      3  -0.191619D+01  0.909962D+00 -0.185612D+01  0.176491D+01  0.893652D+00
               146           147           148           149           150 
      1   0.218940D+00  0.188617D-01 -0.253320D+00  0.644595D+00  0.226032D+00
      2  -0.441214D+00 -0.680790D+00 -0.857155D+00 -0.167905D+01 -0.281339D+01
      3  -0.895090D+00 -0.536072D-01 -0.280792D+00  0.236734D+00  0.209894D+01
               151           152           153           154           155 
      1  -0.409507D-01  0.428322D+01  0.263367D+01  0.182467D+01 -0.145693D+01
      2  -0.233208D+01 -0.193579D+01 -0.209010D+02  0.806242D+01 -0.314176D+01
      3   0.140144D+00  0.313445D+01  0.186323D+01  0.671306D+01 -0.814873D+01
               156           157           158           159           160 
      1   0.103369D+01 -0.159652D+01  0.978787D+00 -0.166124D+01  0.288804D+00
      2   0.574548D+01 -0.359915D+01  0.315756D+01 -0.444427D+01  0.300244D+01
      3   0.121392D+01 -0.516258D+01  0.580786D+01 -0.138421D+01  0.150734D+01
               161           162           163           164           165 
      1   0.213809D+00  0.894539D+00 -0.143062D+01 -0.183491D+01 -0.399318D+00
      2  -0.228774D+01  0.233975D+01  0.207144D+01  0.892802D+00  0.161403D+01
      3  -0.300202D+01  0.194277D+01 -0.291785D+01 -0.578316D+01  0.451469D+00
               166           167           168           169           170 
      1  -0.224726D+01 -0.603361D+01 -0.316222D+01 -0.514645D-01  0.611367D-02
      2   0.130308D+01  0.238445D+01  0.384723D+01  0.477537D+00  0.147906D+01
      3  -0.449292D+01 -0.178900D+02 -0.930901D-01  0.211166D+00 -0.157969D+01
               171 
      1  -0.633751D+00
      2  -0.442906D+00
      3  -0.152875D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.510811D+02  0.945789D+00  0.907748D+00  0.133565D+02  0.913722D+01
      2   0.289411D+02  0.345959D+01 -0.404689D+01 -0.902655D+01 -0.116358D+02
      3   0.221400D+02 -0.440538D+01  0.313915D+01 -0.432995D+01  0.249863D+01
      4   0.101711D+02 -0.122742D+02 -0.102182D+00 -0.126049D+00  0.693458D+01
      5   0.275896D+01  0.524629D+00 -0.146292D+02 -0.105054D+01  0.490203D+00
      6  -0.130203D+00 -0.522627D+00  0.402198D+01 -0.113023D+00 -0.160193D+00
                 6             7             8             9            10 
      1  -0.246473D+01  0.921135D+01 -0.217300D+01 -0.674520D+01 -0.208849D+01
      2   0.658514D+00 -0.672970D+01  0.107811D+00 -0.371780D+01  0.564231D+01
      3   0.180622D+01 -0.248166D+01  0.206519D+01  0.104630D+02 -0.355382D+01
      4   0.682843D+00 -0.755757D+00  0.322915D+01  0.126159D+01 -0.234362D+01
      5   0.889754D+01  0.419297D+01 -0.191035D-01  0.670686D+01 -0.179971D+01
      6  -0.503744D+01  0.704957D+00  0.223848D+01  0.125041D+01 -0.397158D+00
                11            12            13            14            15 
      1  -0.214734D+01 -0.827773D+00  0.730485D+01  0.555666D+00  0.210992D+01
      2   0.374351D+01  0.436440D-02 -0.350829D+01 -0.650481D+01  0.536595D+01
      3  -0.159618D+01  0.823409D+00 -0.379656D+01  0.594914D+01 -0.747587D+01
      4  -0.426233D+00 -0.105668D+00 -0.427879D+01  0.154091D+01 -0.119976D+01
      5  -0.178464D+01  0.504747D+00 -0.227881D+01 -0.104613D+00  0.420831D+01
      6  -0.157231D+01  0.229146D+01 -0.973283D+00  0.577585D+00 -0.248031D+01
                16            17            18            19            20 
      1  -0.698526D+01  0.774387D+00  0.141051D+02 -0.371713D+01 -0.269739D+01
      2   0.244162D+01 -0.359696D+01  0.151047D+02 -0.318526D+01 -0.209128D+01
      3   0.454364D+01  0.282257D+01 -0.292097D+02  0.690239D+01  0.478867D+01
      4  -0.141736D+01 -0.563886D+00 -0.320404D+01 -0.431206D+01  0.484467D+01
      5   0.467283D+00 -0.128598D+01 -0.145055D+01  0.150266D+02  0.173991D+01
      6  -0.293939D+01  0.118267D+01  0.700902D+01  0.569738D+00  0.260897D+01
                21            22            23            24            25 
      1   0.105937D+02 -0.872178D+01  0.108943D+02  0.180506D+01  0.149827D+02
      2  -0.482192D+01  0.511246D+01 -0.101169D+02 -0.169216D+00 -0.608064D+01
      3  -0.577176D+01  0.360932D+01 -0.777339D+00 -0.163585D+01 -0.890203D+01
      4   0.453339D+00  0.904987D+01  0.707381D+01  0.187991D+01  0.567193D+00
      5  -0.299218D+01  0.122135D+01  0.176238D+01 -0.543857D+01 -0.340100D+01
      6  -0.278153D+01  0.154696D+01 -0.296483D+01  0.392169D+01 -0.291379D+01
                26            27            28            29            30 
      1   0.717548D+00 -0.515868D+01 -0.162631D+01 -0.840631D+01 -0.311229D+01
      2   0.447925D+00  0.560859D+01  0.144210D+01  0.133409D+02 -0.120903D+01
      3  -0.116547D+01 -0.449906D+00  0.184211D+00 -0.493455D+01  0.432132D+01
      4   0.149707D+01 -0.569285D+01 -0.383867D+01 -0.141002D+02  0.248039D+01
      5  -0.513620D+01 -0.137442D+02 -0.428177D+01  0.107233D+01 -0.698527D+01
      6   0.295227D+01 -0.158808D+01  0.117161D+01 -0.114635D+01  0.102323D+02
                31            32            33            34            35 
      1  -0.514667D+01 -0.266595D+01  0.327854D+00 -0.281479D+01  0.114787D+01
      2   0.820283D+01  0.317215D+01  0.688432D+01 -0.227700D+01  0.791776D+01
      3  -0.305616D+01 -0.506200D+00 -0.721217D+01  0.509179D+01 -0.906563D+01
      4  -0.722891D+01  0.525973D+01 -0.307597D+01  0.256202D+01 -0.273708D+01
      5   0.570566D+00 -0.180365D+01  0.376803D+01 -0.447192D+01  0.864585D+01
      6  -0.311636D+01  0.857430D+01 -0.126330D+02  0.949360D+01 -0.178883D+02
                36            37            38            39            40 
      1   0.121072D+02  0.701341D+01  0.374966D+01  0.101809D+01 -0.290828D+01
      2  -0.102186D+02  0.346961D+00 -0.132976D+01  0.916519D+00  0.388614D+01
      3  -0.188858D+01 -0.736037D+01 -0.241990D+01 -0.193461D+01 -0.977858D+00
      4   0.116792D+02  0.110670D+02  0.185176D+02 -0.947837D+00  0.111923D+02
      5   0.766771D+01  0.136902D+01  0.420129D+00  0.921416D+01  0.564094D+00
      6  -0.132642D+02  0.436562D+00 -0.120666D+01 -0.145464D+01  0.433224D+00
                41            42            43            44            45 
      1  -0.162663D+02  0.141458D+01 -0.347168D+00  0.610143D+00 -0.456110D+01
      2   0.264924D+02 -0.815879D+00  0.492967D+00 -0.220662D+00  0.321057D+01
      3  -0.102261D+02 -0.598701D+00 -0.145799D+00 -0.389481D+00  0.135053D+01
      4   0.916798D+01 -0.939539D+00 -0.121228D+01 -0.149874D+01  0.549561D+01
      5   0.920765D+00 -0.236166D+01  0.342283D+01  0.395410D+01 -0.183695D+01
      6  -0.429328D+00  0.104096D+02  0.176979D+01  0.907353D+01 -0.204454D+01
                46            47            48            49            50 
      1   0.992775D+02 -0.963470D+01 -0.360511D+01 -0.114833D+02  0.809691D+01
      2  -0.565299D+02  0.510887D+01  0.320400D+01  0.679078D+01 -0.206464D+00
      3  -0.427477D+02  0.452583D+01  0.401112D+00  0.469249D+01 -0.789045D+01
      4  -0.795631D+01  0.224513D+02  0.584490D+00  0.209300D+02 -0.854208D+01
      5  -0.248173D+01  0.246956D+00  0.238749D+02  0.107447D+01 -0.120131D+01
      6   0.201928D+00  0.683349D+00 -0.236429D+01 -0.782618D+00 -0.309587D+00
                51            52            53            54            55 
      1   0.863633D+00 -0.861246D+01  0.141040D+01  0.131117D+02 -0.141994D+01
      2  -0.389370D+00  0.623674D+01 -0.107455D+00 -0.115159D+02 -0.901531D+00
      3  -0.474264D+00  0.237572D+01 -0.130295D+01 -0.159585D+01  0.232147D+01
      4  -0.222276D+01  0.142169D+01 -0.329615D+01 -0.128361D+01  0.157570D+02
      5  -0.536486D+01  0.239787D+02 -0.363501D+01 -0.768852D+01  0.588820D+00
      6   0.505723D+01 -0.308019D+00  0.429392D+01 -0.701874D-02 -0.167140D+01
                56            57            58            59            60 
      1  -0.343088D+01  0.764356D+00 -0.261538D+01 -0.241493D+02 -0.174547D+01
      2   0.772826D+01  0.846970D+00  0.190366D+01  0.381974D+02 -0.416839D+01
      3  -0.429737D+01 -0.161133D+01  0.711726D+00 -0.140481D+02  0.591386D+01
      4  -0.451278D+01 -0.162887D+01  0.455569D+01 -0.345448D+01  0.131741D+01
      5  -0.993733D+00  0.274821D+01  0.663382D+00  0.231500D+00 -0.245550D+01
      6   0.578233D+00  0.181560D+01  0.130877D+01 -0.246291D+01  0.101901D+02
                61            62            63            64            65 
      1   0.272454D+00 -0.808193D+00 -0.662819D+01 -0.465400D+00  0.942870D+00
      2   0.476562D+00  0.299721D+01  0.109146D+01 -0.400809D+01 -0.442960D+00
      3  -0.749016D+00 -0.218902D+01  0.553673D+01  0.447349D+01 -0.499910D+00
      4  -0.136321D+01  0.136183D+01  0.642894D+00  0.113723D+01  0.202968D+01
      5   0.263799D+01 -0.102377D+01  0.705955D-01  0.389952D+00 -0.256573D+00
      6   0.111254D+01  0.850507D+01  0.295218D+00 -0.140119D+01  0.139644D+00
                66            67            68            69            70 
      1   0.627480D+00 -0.849909D-01 -0.373727D+01  0.653116D+00  0.158014D+01
      2   0.817025D-01  0.492944D+00  0.531825D+00 -0.297704D+01  0.321059D+00
      3  -0.709183D+00 -0.407953D+00  0.320545D+01  0.232392D+01 -0.190120D+01
      4  -0.150362D+01  0.175880D+01  0.171453D-02  0.533675D+00 -0.157844D+01
      5   0.672884D+01  0.356938D+00  0.307692D+00 -0.586554D-01  0.591480D+01
      6  -0.300464D-01  0.119254D+00 -0.162988D+01  0.648326D+01  0.710025D+00
                71            72            73            74            75 
      1   0.321043D+01 -0.209639D+02  0.907307D+00  0.290901D+01 -0.399584D+00
      2  -0.282437D+01 -0.200793D+02  0.425273D+01 -0.917074D+01  0.197642D+01
      3  -0.386063D+00  0.410431D+02 -0.516004D+01  0.626173D+01 -0.157684D+01
      4   0.157211D+01  0.162003D+01 -0.938939D+01  0.130933D+02 -0.563866D+01
      5   0.227264D+00  0.413607D+01  0.342397D+01 -0.311075D+01  0.400076D+01
      6   0.627482D+01 -0.113447D+02 -0.570550D+01  0.452688D+01 -0.499518D+01
                76            77            78            79            80 
      1   0.365475D+01 -0.145355D+02  0.494508D+01 -0.411700D+00  0.877619D+01
      2  -0.801190D+01  0.272900D+02 -0.898541D+01  0.246235D+01 -0.150675D+02
      3   0.435715D+01 -0.127545D+02  0.404033D+01 -0.205065D+01  0.629127D+01
      4   0.974306D+01 -0.139028D+02  0.491000D+01 -0.759791D+01  0.864646D+01
      5  -0.230704D+01  0.361164D+01 -0.348096D+01  0.444607D+01 -0.502727D+01
      6   0.339186D+01 -0.120707D+02  0.103347D+02 -0.590938D+01  0.142231D+02
                81            82            83            84            85 
      1  -0.773564D+01 -0.614671D+00  0.114844D+01  0.710626D-01  0.225564D+01
      2   0.717840D+01  0.572877D-01 -0.253820D+01  0.375918D+00 -0.340014D+01
      3   0.557237D+00  0.557383D+00  0.138976D+01 -0.446981D+00  0.114449D+01
      4  -0.697077D+01 -0.346615D+01  0.660204D+01  0.502108D+01  0.467534D+01
      5   0.427496D+01 -0.315314D+01  0.291880D+01  0.644468D+01  0.158146D+01
      6  -0.104173D+02  0.546209D+01 -0.231687D+01 -0.434989D+01 -0.183829D+01
                86            87            88            89            90 
      1  -0.912311D+01 -0.662015D+01  0.133532D+01 -0.115392D+02 -0.168093D+02
      2   0.106132D+02  0.587007D+01  0.108444D+01  0.899379D+01  0.316649D+01
      3  -0.149004D+01  0.750080D+00 -0.241976D+01  0.254544D+01  0.136428D+02
      4  -0.539822D+01 -0.238458D+01  0.639685D+01 -0.564477D+01 -0.748905D+01
      5  -0.273990D+01 -0.286722D+01  0.742078D+01 -0.602974D+01 -0.102180D+02
      6   0.100693D+02  0.123152D+02 -0.643002D+01  0.190658D+02  0.265575D+02
                91            92            93            94            95 
      1   0.702778D+01  0.316171D+01 -0.848343D+00 -0.519433D+00 -0.589849D+00
      2   0.276218D+01 -0.114426D+02 -0.846928D+00 -0.363609D+01  0.609522D+01
      3  -0.978995D+01  0.828090D+01  0.169527D+01  0.415553D+01 -0.550537D+01
      4  -0.217017D+02  0.172208D+02  0.247948D+01  0.842102D+01 -0.710593D+01
      5  -0.642926D+00  0.543131D+00  0.235950D+01  0.171412D+00 -0.472492D+00
      6   0.209615D+01 -0.474663D+00 -0.415697D+01 -0.670338D+00  0.459680D+00
                96            97            98            99           100 
      1   0.584882D-01 -0.271928D+00 -0.106807D+01 -0.764886D+00  0.497299D+01
      2   0.330814D+00 -0.800087D+00  0.200330D+01  0.368495D+00  0.823887D+01
      3  -0.389302D+00  0.107202D+01 -0.935231D+00  0.396390D+00 -0.132119D+02
      4  -0.859528D+00  0.319216D+01 -0.234346D+01 -0.324538D+01  0.845436D+01
      5  -0.903036D+00  0.319010D+01 -0.215241D+01 -0.779528D+00 -0.104592D+02
      6   0.217596D+01 -0.286022D+01  0.371551D+01  0.182716D+01  0.931101D+01
               101           102           103           104           105 
      1   0.873161D+01 -0.148938D+02  0.113339D+02 -0.164832D+01  0.151065D+01
      2  -0.621903D+01  0.306855D+01 -0.936831D+01 -0.142872D+00 -0.784120D+01
      3  -0.251258D+01  0.118252D+02 -0.196555D+01  0.179119D+01  0.633055D+01
      4  -0.541810D+01  0.316831D+01 -0.835291D+01 -0.113709D+02 -0.779757D+01
      5   0.954799D+01 -0.113182D+02  0.103484D+02 -0.124103D+02  0.632262D+01
      6  -0.741912D+01  0.205115D+01 -0.975581D+01 -0.128014D+02 -0.693295D+01
               106           107           108           109           110 
      1  -0.134135D+02 -0.112559D+00 -0.423581D+01 -0.966201D+01  0.165094D+02
      2   0.225381D+01 -0.642019D+01 -0.709156D+01 -0.375068D+00 -0.947124D+01
      3   0.111597D+02  0.653275D+01  0.113274D+02  0.100371D+02 -0.703819D+01
      4   0.201776D+01 -0.445941D+01  0.554900D+01  0.163800D+02 -0.158874D+02
      5  -0.105894D+02  0.522764D+01  0.134973D+02 -0.180697D+02 -0.913527D+00
      6   0.218776D+01 -0.539936D+01  0.735056D+01 -0.408487D+01  0.317851D+01
               111           112           113           114           115 
      1  -0.159077D+02  0.210617D+02 -0.151647D+02  0.422331D+01 -0.201141D+02
      2   0.945070D+01 -0.146564D+02  0.321590D+00  0.437013D+00  0.864804D+01
      3   0.645701D+01 -0.640522D+01  0.148432D+02 -0.466032D+01  0.114661D+02
      4   0.114261D+01 -0.222057D+02 -0.223470D+02 -0.393555D+01  0.247864D+01
      5   0.877963D+01 -0.652876D+00 -0.247192D+01  0.701217D+01  0.688512D+01
      6   0.370702D+00  0.444450D+01  0.495471D+01  0.173400D+01  0.100899D+01
               116           117           118           119           120 
      1   0.509911D+01  0.150509D+02 -0.746007D+01 -0.234202D+01  0.132897D+02
      2  -0.101353D+01  0.631576D+01 -0.287971D+01  0.518676D+00  0.532797D+01
      3  -0.408558D+01 -0.213666D+02  0.103398D+02  0.182334D+01 -0.186177D+02
      4  -0.621934D+01  0.804090D+01 -0.137871D+01  0.982920D+00  0.312939D+00
      5   0.677912D+01  0.231215D+02 -0.106333D+02 -0.260079D+01  0.633066D+01
      6   0.175844D+01 -0.240963D+01 -0.289776D+01 -0.417541D+01  0.151895D+01
               121           122           123           124           125 
      1  -0.323202D+01 -0.310865D+01  0.318478D+01  0.917325D+01  0.191208D+01
      2   0.129514D+01  0.592105D+00  0.194507D+01  0.275257D+01  0.138098D+01
      3   0.193688D+01  0.251655D+01 -0.512985D+01 -0.119258D+02 -0.329306D+01
      4   0.212667D+01  0.111577D+01  0.891351D+00  0.590366D+00  0.559879D+00
      5  -0.303143D+01 -0.207699D+00 -0.522634D+00  0.829629D+01  0.375115D+00
      6  -0.225843D+01 -0.114511D+01  0.561351D+01  0.133632D+01  0.499829D+01
               126           127           128           129           130 
      1  -0.137029D+02  0.152925D+01  0.125867D+01  0.174551D+01  0.225735D+01
      2  -0.748885D+01 -0.838520D+00  0.629612D+00 -0.884552D+00 -0.370836D-01
      3   0.211917D+02 -0.690733D+00 -0.188828D+01 -0.860955D+00 -0.222026D+01
      4  -0.933855D+00  0.388173D+01  0.754924D+01  0.170833D+01  0.955951D+01
      5  -0.492901D+01  0.434747D+01  0.323732D+01  0.504428D+01  0.642675D+01
      6  -0.246356D+01  0.232258D+01  0.463726D+01  0.167916D+01  0.652885D+01
               131           132           133           134           135 
      1  -0.842632D+01 -0.635164D+01  0.824584D+00 -0.394029D+01 -0.396828D+01
      2   0.127534D+02 -0.492923D+00 -0.948422D+00  0.242579D+00  0.288461D+00
      3  -0.432709D+01  0.684457D+01  0.123839D+00  0.369771D+01  0.367982D+01
      4   0.189179D+02  0.710547D+01  0.692407D+00  0.354812D+01  0.285012D+01
      5   0.949158D+01  0.790453D+01  0.395278D+01  0.341398D+01  0.237866D+01
      6   0.237122D+02  0.128565D+02  0.151401D+01  0.957318D+01  0.545334D+01
               136           137           138           139           140 
      1   0.182949D+02 -0.513296D+01  0.507824D+01 -0.767439D+01  0.196708D+01
      2  -0.163064D+02  0.403496D+01 -0.108018D+02  0.621574D+01 -0.105724D+01
      3  -0.198850D+01  0.109801D+01  0.572359D+01  0.145865D+01 -0.909837D+00
      4  -0.794595D+01  0.813213D+01 -0.390074D+01  0.860460D+01 -0.715682D+01
      5   0.240700D+02 -0.846280D+01  0.192576D+02 -0.123487D+02  0.906412D+01
      6  -0.718260D+01  0.760079D+01 -0.473400D+01  0.745002D+01 -0.676104D+01
               141           142           143           144           145 
      1   0.235151D+00  0.380232D+01  0.319682D+00  0.195210D+00  0.235883D+00
      2   0.596673D+01 -0.767586D+01  0.340630D+01 -0.882582D+01 -0.201993D+01
      3  -0.620188D+01  0.387354D+01 -0.372599D+01  0.863061D+01  0.178404D+01
      4   0.542558D+01 -0.238764D+01  0.316222D+01 -0.399022D+01 -0.183817D+01
      5  -0.105928D+02  0.142791D+02 -0.582331D+01  0.130041D+02 -0.140189D+01
      6   0.726745D+01 -0.379210D+01  0.521571D+01 -0.541748D+01  0.683969D+00
               146           147           148           149           150 
      1  -0.222588D+01 -0.430728D+01 -0.375308D+01 -0.661122D+00 -0.203778D+01
      2   0.124427D+01  0.123913D+01  0.262848D+01 -0.410221D+00 -0.159112D+01
      3   0.981606D+00  0.306815D+01  0.112460D+01  0.107134D+01  0.362890D+01
      4   0.179362D+01 -0.163799D+00  0.391508D+01  0.240244D+00 -0.394140D+01
      5   0.572250D+00  0.381352D+01  0.187149D+01 -0.363031D+01 -0.493943D+01
      6   0.464268D+00  0.146556D+00 -0.912845D+00  0.133316D+01  0.577316D+01
               151           152           153           154           155 
      1  -0.679642D+01 -0.168210D+01 -0.148327D+02  0.502811D+02 -0.150957D+02
      2   0.669248D+01 -0.817978D+00 -0.182952D+02 -0.234538D+02  0.616308D+01
      3   0.103939D+00  0.250008D+01  0.331279D+02 -0.268273D+02  0.893265D+01
      4  -0.617599D+00 -0.539490D+01 -0.356415D+01 -0.162767D+02  0.148792D+02
      5   0.121571D+02 -0.276377D+01 -0.376488D+02 -0.118669D+00 -0.295216D+00
      6   0.130346D+00  0.629958D+01  0.325115D+00  0.261215D+01 -0.267244D+01
               156           157           158           159           160 
      1   0.606794D+01 -0.240022D+02  0.116173D+02 -0.226292D+01  0.152942D+02
      2  -0.209539D+01  0.103129D+02 -0.148024D+01 -0.317337D+00 -0.683972D+01
      3  -0.397256D+01  0.136893D+02 -0.101371D+02  0.258025D+01 -0.845443D+01
      4  -0.209010D+01  0.178583D+02 -0.120565D+02  0.255496D+01 -0.447441D+01
      5   0.755632D+01  0.849441D+00  0.948165D+00 -0.645777D+01  0.681321D+01
      6  -0.892795D-01 -0.244330D+01  0.103384D+01  0.136114D+01 -0.532011D+00
               161           162           163           164           165 
      1  -0.350108D+01  0.405627D+01  0.117576D+02  0.606674D+01  0.126542D+01
      2   0.744999D+00 -0.381469D+01 -0.276671D+01 -0.421220D+00 -0.549385D+00
      3   0.275608D+01 -0.241587D+00 -0.899088D+01 -0.564552D+01 -0.716033D+00
      4   0.546842D+01 -0.419728D+01  0.933202D+01  0.148447D+02 -0.430262D+00
      5  -0.389885D+01  0.313624D+01 -0.787259D+00 -0.156619D+01  0.232873D+01
      6   0.775401D+00 -0.414956D+00 -0.139711D+01 -0.291144D+01  0.827969D+00
               166           167           168           169           170 
      1   0.117615D+02  0.425973D+01 -0.408409D+00  0.452739D+01  0.287200D+00
      2  -0.885573D+00  0.125918D+02  0.140837D+01 -0.127490D+01  0.126646D+01
      3  -0.108759D+02 -0.168515D+02 -0.999963D+00 -0.325250D+01 -0.155366D+01
      4   0.221740D+02  0.368151D+02 -0.799012D+00  0.148550D+01  0.311246D+01
      5  -0.403035D+01 -0.178588D+01  0.732987D+01  0.277899D+01  0.390539D+01
      6  -0.421360D+01 -0.914053D+01  0.465173D+01  0.144964D+01  0.346425D+01
               171 
      1  -0.122755D+01
      2   0.697045D-02
      3   0.122058D+01
      4   0.343183D+01
      5  -0.155273D+01
      6   0.142352D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 00:26:49 2021, MaxMem= 10737418240 cpu:           20584.2 elap:            1288.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.33137 -19.28978 -19.27452 -10.43746 -10.37136
 Alpha  occ. eigenvalues --  -10.37121 -10.33497 -10.30460 -10.29753  -1.23048
 Alpha  occ. eigenvalues --   -1.15710  -1.14312  -0.94740  -0.83842  -0.81598
 Alpha  occ. eigenvalues --   -0.80684  -0.69116  -0.67305  -0.63145  -0.61490
 Alpha  occ. eigenvalues --   -0.57841  -0.56891  -0.54941  -0.52880  -0.52502
 Alpha  occ. eigenvalues --   -0.50760  -0.48495  -0.48140  -0.46619  -0.44801
 Alpha  occ. eigenvalues --   -0.43830  -0.42867  -0.39743  -0.38049  -0.36797
 Alpha virt. eigenvalues --    0.03028   0.04318   0.04509   0.04987   0.06237
 Alpha virt. eigenvalues --    0.06432   0.06789   0.07070   0.07285   0.08131
 Alpha virt. eigenvalues --    0.09238   0.10371   0.11504   0.12202   0.13148
 Alpha virt. eigenvalues --    0.13494   0.13539   0.13979   0.14197   0.14714
 Alpha virt. eigenvalues --    0.14871   0.15888   0.16535   0.17026   0.17583
 Alpha virt. eigenvalues --    0.17870   0.18243   0.19100   0.19583   0.20169
 Alpha virt. eigenvalues --    0.20388   0.20865   0.20987   0.21923   0.23091
 Alpha virt. eigenvalues --    0.23605   0.24932   0.25673   0.26709   0.26943
 Alpha virt. eigenvalues --    0.27985   0.28852   0.29665   0.29968   0.31006
 Alpha virt. eigenvalues --    0.31407   0.32134   0.32691   0.33153   0.33498
 Alpha virt. eigenvalues --    0.34219   0.34482   0.34867   0.35653   0.35780
 Alpha virt. eigenvalues --    0.36509   0.37397   0.38060   0.38783   0.39794
 Alpha virt. eigenvalues --    0.40453   0.41308   0.41966   0.42392   0.42671
 Alpha virt. eigenvalues --    0.43906   0.44479   0.45377   0.46044   0.46311
 Alpha virt. eigenvalues --    0.47085   0.47186   0.47996   0.49552   0.50198
 Alpha virt. eigenvalues --    0.50862   0.51521   0.52339   0.54319   0.54981
 Alpha virt. eigenvalues --    0.55410   0.56941   0.57576   0.58255   0.59083
 Alpha virt. eigenvalues --    0.59479   0.60167   0.60474   0.61100   0.61860
 Alpha virt. eigenvalues --    0.62457   0.64234   0.64790   0.65880   0.67175
 Alpha virt. eigenvalues --    0.67852   0.68048   0.69088   0.70049   0.70738
 Alpha virt. eigenvalues --    0.71833   0.72543   0.73042   0.73457   0.74773
 Alpha virt. eigenvalues --    0.76040   0.76440   0.77484   0.78179   0.78464
 Alpha virt. eigenvalues --    0.78965   0.80732   0.80904   0.81838   0.83691
 Alpha virt. eigenvalues --    0.84055   0.84815   0.85030   0.85833   0.87351
 Alpha virt. eigenvalues --    0.88734   0.90754   0.91482   0.92824   0.93670
 Alpha virt. eigenvalues --    0.94061   0.95988   0.97083   0.97802   1.00033
 Alpha virt. eigenvalues --    1.00355   1.01273   1.03016   1.06431   1.07856
 Alpha virt. eigenvalues --    1.09604   1.11147   1.12414   1.13489   1.14488
 Alpha virt. eigenvalues --    1.16056   1.18501   1.19771   1.22366   1.23125
 Alpha virt. eigenvalues --    1.23300   1.24129   1.27637   1.28620   1.29474
 Alpha virt. eigenvalues --    1.31040   1.32691   1.33626   1.35434   1.36180
 Alpha virt. eigenvalues --    1.39570   1.41940   1.44129   1.46681   1.47185
 Alpha virt. eigenvalues --    1.49414   1.50474   1.53459   1.54834   1.56941
 Alpha virt. eigenvalues --    1.58587   1.59695   1.60600   1.63151   1.64752
 Alpha virt. eigenvalues --    1.65515   1.67420   1.68397   1.71147   1.71692
 Alpha virt. eigenvalues --    1.72577   1.75653   1.76454   1.77671   1.80490
 Alpha virt. eigenvalues --    1.81429   1.82173   1.83092   1.83929   1.85333
 Alpha virt. eigenvalues --    1.86342   1.88158   1.90285   1.91028   1.93313
 Alpha virt. eigenvalues --    1.95327   1.96731   1.98914   2.02189   2.02340
 Alpha virt. eigenvalues --    2.04158   2.06671   2.09553   2.10417   2.11805
 Alpha virt. eigenvalues --    2.13067   2.14228   2.15296   2.16869   2.21002
 Alpha virt. eigenvalues --    2.22828   2.24114   2.25394   2.26731   2.29297
 Alpha virt. eigenvalues --    2.30850   2.34208   2.35793   2.37754   2.38745
 Alpha virt. eigenvalues --    2.40596   2.41914   2.44063   2.45125   2.47203
 Alpha virt. eigenvalues --    2.48626   2.50357   2.51632   2.54904   2.57833
 Alpha virt. eigenvalues --    2.61473   2.62255   2.65301   2.66577   2.69576
 Alpha virt. eigenvalues --    2.71715   2.72258   2.75434   2.78377   2.83299
 Alpha virt. eigenvalues --    2.85734   2.91288   2.95038   2.97833   3.07575
 Alpha virt. eigenvalues --    3.12210   3.13306   3.22459   3.28302   3.38797
 Alpha virt. eigenvalues --    3.44812   3.45438   3.50517   3.51421   3.53720
 Alpha virt. eigenvalues --    3.55524   3.57407   3.59588   3.61720   3.64835
 Alpha virt. eigenvalues --    3.71575   3.75672   3.80796   3.88063   4.02784
 Alpha virt. eigenvalues --    4.06252   4.20292
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.054040  -0.735490   0.223127  -0.228851  -0.044726   0.284487
     2  C   -0.735490   7.180684  -1.512279   0.066865   0.105989  -0.038420
     3  C    0.223127  -1.512279   9.788032  -0.288695   0.087037   0.054192
     4  C   -0.228851   0.066865  -0.288695   5.066230   0.055206   0.024337
     5  O   -0.044726   0.105989   0.087037   0.055206   8.712622  -0.083780
     6  O    0.284487  -0.038420   0.054192   0.024337  -0.083780   8.321022
     7  O   -0.006440  -0.011730  -0.094063   0.033701  -0.010945  -0.020828
     8  H   -0.091379  -0.316966   0.457024  -0.062801   0.002231  -0.000302
     9  H   -0.042341   0.133210  -0.257131   0.170444  -0.183976  -0.003425
    10  H    0.122006  -0.044393   0.233424  -0.098480  -0.083586  -0.009397
    11  H   -0.047414  -0.084057   0.052844  -0.009169   0.006186   0.026584
    12  C    0.067172  -0.251618   0.090559  -0.130503   0.019047  -0.015843
    13  C   -0.153536   0.276690  -0.791812  -0.124730  -0.025440   0.017213
    14  H   -0.058269  -0.102469   0.382967  -0.075474   0.020374   0.014592
    15  H    0.000502   0.103996  -0.074340  -0.048828   0.000614  -0.001929
    16  H    0.045083  -0.065448   0.046661   0.082406  -0.004268  -0.003980
    17  H    0.041307  -0.040334   0.100585   0.037755  -0.002799  -0.000590
    18  H   -0.019525   0.031482   0.032569  -0.017456   0.010961   0.001175
    19  H   -0.016203   0.002196   0.055807  -0.012050  -0.005270   0.000408
               7          8          9         10         11         12
     1  C   -0.006440  -0.091379  -0.042341   0.122006  -0.047414   0.067172
     2  C   -0.011730  -0.316966   0.133210  -0.044393  -0.084057  -0.251618
     3  C   -0.094063   0.457024  -0.257131   0.233424   0.052844   0.090559
     4  C    0.033701  -0.062801   0.170444  -0.098480  -0.009169  -0.130503
     5  O   -0.010945   0.002231  -0.183976  -0.083586   0.006186   0.019047
     6  O   -0.020828  -0.000302  -0.003425  -0.009397   0.026584  -0.015843
     7  O    8.473551  -0.151497   0.000700   0.003514   0.347929  -0.012761
     8  H   -0.151497   1.557189   0.015762  -0.010450   0.030041   0.053831
     9  H    0.000700   0.015762   2.013889  -0.492214   0.000023  -0.157942
    10  H    0.003514  -0.010450  -0.492214   1.907707   0.001088   0.106477
    11  H    0.347929   0.030041   0.000023   0.001088   0.573207  -0.007456
    12  C   -0.012761   0.053831  -0.157942   0.106477  -0.007456   4.946354
    13  C    0.032612  -0.142347   0.191620  -0.258992  -0.013650  -0.310398
    14  H    0.018096   0.007827  -0.033199   0.020020  -0.005217   0.058700
    15  H   -0.033115   0.022093   0.022586  -0.016917  -0.002062   0.203702
    16  H    0.013349  -0.011792  -0.056294   0.027410   0.003331   0.083805
    17  H    0.016026  -0.019749   0.007299  -0.009455   0.000642  -0.014984
    18  H   -0.006752   0.009006  -0.005630  -0.014330  -0.000535   0.048439
    19  H    0.004306  -0.030468   0.006303  -0.007190  -0.002139  -0.045893
              13         14         15         16         17         18
     1  C   -0.153536  -0.058269   0.000502   0.045083   0.041307  -0.019525
     2  C    0.276690  -0.102469   0.103996  -0.065448  -0.040334   0.031482
     3  C   -0.791812   0.382967  -0.074340   0.046661   0.100585   0.032569
     4  C   -0.124730  -0.075474  -0.048828   0.082406   0.037755  -0.017456
     5  O   -0.025440   0.020374   0.000614  -0.004268  -0.002799   0.010961
     6  O    0.017213   0.014592  -0.001929  -0.003980  -0.000590   0.001175
     7  O    0.032612   0.018096  -0.033115   0.013349   0.016026  -0.006752
     8  H   -0.142347   0.007827   0.022093  -0.011792  -0.019749   0.009006
     9  H    0.191620  -0.033199   0.022586  -0.056294   0.007299  -0.005630
    10  H   -0.258992   0.020020  -0.016917   0.027410  -0.009455  -0.014330
    11  H   -0.013650  -0.005217  -0.002062   0.003331   0.000642  -0.000535
    12  C   -0.310398   0.058700   0.203702   0.083805  -0.014984   0.048439
    13  C    5.465722  -0.073218   0.058236   0.024898  -0.003281   0.115396
    14  H   -0.073218   1.769816  -0.415119  -0.355481  -0.020030  -0.002145
    15  H    0.058236  -0.415119   1.861615  -0.513565   0.015049   0.021152
    16  H    0.024898  -0.355481  -0.513565   1.888783   0.014210  -0.029029
    17  H   -0.003281  -0.020030   0.015049   0.014210   1.875678  -0.376372
    18  H    0.115396  -0.002145   0.021152  -0.029029  -0.376372   1.663826
    19  H    0.319218   0.014970  -0.048516   0.010052  -0.374511  -0.373958
              19
     1  C   -0.016203
     2  C    0.002196
     3  C    0.055807
     4  C   -0.012050
     5  O   -0.005270
     6  O    0.000408
     7  O    0.004306
     8  H   -0.030468
     9  H    0.006303
    10  H   -0.007190
    11  H   -0.002139
    12  C   -0.045893
    13  C    0.319218
    14  H    0.014970
    15  H   -0.048516
    16  H    0.010052
    17  H   -0.374511
    18  H   -0.373958
    19  H    1.563436
 Mulliken charges:
               1
     1  C    0.606451
     2  C    1.302090
     3  C   -2.586508
     4  C    1.560094
     5  O   -0.575476
     6  O   -0.565516
     7  O   -0.595652
     8  H   -0.317253
     9  H   -0.329682
    10  H   -0.376241
    11  H    0.129825
    12  C    1.269313
    13  C    1.395800
    14  H   -0.166741
    15  H   -0.155154
    16  H   -0.200132
    17  H   -0.246447
    18  H   -0.088275
    19  H   -0.060497
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.606451
     2  C    0.984837
     3  C   -2.586508
     4  C    0.854171
     5  O   -0.575476
     6  O   -0.565516
     7  O   -0.465827
    12  C    0.747287
    13  C    1.000582
 Electronic spatial extent (au):  <R**2>=           1086.6607
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.6064    Y=             -0.8727    Z=             -0.7666  Tot=              3.7888
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -60.6827   YY=            -56.1083   ZZ=            -51.9012
   XY=             -4.4989   XZ=              0.8859   YZ=              0.7548
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.4520   YY=              0.1224   ZZ=              4.3295
   XY=             -4.4989   XZ=              0.8859   YZ=              0.7548
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             16.0235  YYY=             -3.1463  ZZZ=             -3.0004  XYY=             -3.3342
  XXY=              6.3555  XXZ=             -1.0206  XZZ=             -4.4222  YZZ=             -0.6731
  YYZ=              1.7639  XYZ=             -1.3085
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -803.7932 YYYY=           -423.1008 ZZZZ=           -234.7194 XXXY=             -9.7791
 XXXZ=              7.0705 YYYX=            -24.8547 YYYZ=              5.2689 ZZZX=             -1.9610
 ZZZY=             -0.0063 XXYY=           -178.7450 XXZZ=           -161.3010 YYZZ=           -108.1484
 XXYZ=             -0.2951 YYXZ=              0.2144 ZZXY=             -1.2014
 N-N= 4.972776228845D+02 E-N=-2.070040464981D+03  KE= 4.574915539710D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 00:26:50 2021, MaxMem= 10737418240 cpu:               5.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.35843125D+00-3.17516348D-01-2.85117247D-01
 Polarizability= 8.74530308D+01-4.41639386D+00 7.59242529D+01
                -1.64995895D+00 1.02113101D+00 6.90442118D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9281    0.9272       -2.1327   -2.1335
 2     -0.9281   -0.9272       -0.4211   -0.4196       -6.0250   -6.0248
 3      2.1327    2.1335        9.6554    9.6551        0.4188    0.4196
 4      0.4211    0.4196        0.0000    0.0000        2.1341    2.1335
 5     -3.6305   -3.6303       -2.1341   -2.1335        0.9269    0.9272
 6     -0.4188   -0.4196       -0.9269   -0.9272       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7817   -2.7817       -6.4004   -6.4004
 2      1.2588    1.2588        0.0000    0.0000       -6.4004   -6.4004
 3      1.2588    1.2588       -2.7817   -2.7817        0.0000    0.0000
 4     -2.7817   -2.7817       -1.2588   -1.2588      -18.0744  -18.0744
 5      6.4004    6.4004       28.9654   28.9654        1.2588    1.2588
 6    -10.8910  -10.8910       -6.4004   -6.4004        2.7817    2.7817
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0445    0.0000       -3.7465   -3.7089        8.6445    8.5339
 2      3.9879    3.7089        1.5212    1.6784       24.3018   24.0992
 3     -8.5933   -8.5339      -38.6543  -38.6205       -1.7989   -1.6784
 4     -1.7085   -1.6784       -0.0702    0.0000       -8.4849   -8.5339
 5     14.5275   14.5213        8.5642    8.5339       -3.7574   -3.7089
 6      1.7264    1.6784        3.7153    3.7089        0.0255    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0487    0.0000      -14.5077  -14.7093       -2.1489   -2.1561
 2     14.9624   14.7093       16.3361   16.3211       -3.7139   -3.5838
 3      2.1902    2.1561        1.3052    1.4039      -16.1644  -16.3211
 4    -16.4372  -16.3211        0.0440    0.0000        2.0217    2.1561
 5      1.8943    2.1798       -1.9316   -2.1561      -15.0351  -14.7093
 6     16.2821   16.3211       14.7089   14.7093        0.1126    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.6065   -6.4699       -6.0224   -6.0476        3.1067    3.0185
 2    -31.0826  -30.9403      -20.6791  -20.6918        2.9199    3.0185
 3    -31.1010  -30.9403       -6.1256   -6.0476        5.5211    5.5206
 4     14.6664   14.6442       24.5654   24.4704       -1.8497   -1.6113
 5      2.7150    2.5022       -2.1256   -1.8942      -24.3716  -24.4704
 6      3.1675    3.5055       -2.3451   -2.5022      -14.9780  -14.6442
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9763   -3.8367   -0.0006    0.0003    0.0006    5.5109
 Low frequencies ---   97.0353  188.6123  212.9301
 Diagonal vibrational polarizability:
        8.3247677      22.6362795      21.5526576
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     97.0351               188.6119               212.9300
 Red. masses --      5.5520                 3.5368                 1.2401
 Frc consts  --      0.0308                 0.0741                 0.0331
 IR Inten    --      0.4994                 1.8650                 1.4662
 RamAct Fr= 1--      0.5814                 0.6672                 0.1818
  Dep-P Fr= 1--      0.7433                 0.7145                 0.6692
  Dep-U Fr= 1--      0.8528                 0.8335                 0.8018
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0826                 0.0927                 0.0243
 AlphaG Fr= 1--     -0.0001                -0.0018                -0.0018
 Gamma2 Fr= 1--      0.0050                -0.1453                -0.0273
 Delta2 Fr= 1--     -0.0013                -0.0606                 0.0303
 Raman1 Fr= 1--       2.326                  2.669                  0.727
 ROA1   Fr= 1--       0.439                -15.885                 -1.655
 CID1   Fr= 1--       0.189                 -5.952                 -2.276
 Raman2 Fr= 1--       0.992                  1.112                  0.291
 ROA2   Fr= 1--       0.131                 -3.002                 -0.898
 CID2   Fr= 1--       0.132                 -2.699                 -3.080
 Raman3 Fr= 1--       1.983                  2.224                  0.583
 ROA3   Fr= 1--       0.439                -15.885                 -1.655
 CID3   Fr= 1--       0.222                 -7.141                 -2.838
 RC180  Fr= 1--       0.706                  0.667                  0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.07    -0.02   0.01   0.05    -0.01  -0.00  -0.00
     2   6     0.00  -0.04  -0.09    -0.00  -0.02   0.01     0.00  -0.02   0.00
     3   6    -0.02  -0.01  -0.01     0.00  -0.01  -0.01    -0.01  -0.02   0.00
     4   6     0.01   0.00  -0.15    -0.02   0.02  -0.08    -0.00  -0.03   0.02
     5   8     0.01  -0.02  -0.07     0.03   0.04   0.27    -0.02  -0.01  -0.03
     6   8     0.09   0.05   0.33    -0.06  -0.02  -0.15    -0.00   0.00   0.01
     7   8     0.02   0.02  -0.28     0.09   0.01  -0.07     0.08  -0.02   0.02
     8   1    -0.01  -0.19  -0.08    -0.02  -0.09   0.01    -0.01  -0.01   0.00
     9   1     0.04  -0.07  -0.24     0.13  -0.08  -0.27    -0.04  -0.01   0.05
    10   1    -0.03   0.12  -0.20    -0.28   0.15  -0.17     0.03  -0.06   0.04
    11   1     0.06  -0.03  -0.01     0.07   0.16  -0.27     0.08   0.06  -0.03
    12   6    -0.21  -0.10   0.03     0.01  -0.19   0.02    -0.01   0.00  -0.00
    13   6     0.05   0.08   0.16    -0.03   0.15  -0.00    -0.04   0.08  -0.02
    14   1    -0.25  -0.21  -0.08     0.08  -0.42   0.01    -0.11   0.24  -0.04
    15   1    -0.31  -0.09   0.12    -0.14  -0.19   0.17     0.23  -0.04  -0.03
    16   1    -0.21  -0.06   0.09     0.12  -0.12  -0.10    -0.17  -0.18   0.06
    17   1     0.19   0.14   0.13    -0.02   0.21  -0.02     0.09  -0.34   0.04
    18   1     0.04   0.10   0.23     0.05   0.24  -0.05     0.13   0.47   0.26
    19   1    -0.02   0.09   0.26    -0.17   0.18   0.05    -0.38   0.22  -0.37
                      4                      5                      6
                      A                      A                      A
 Frequencies --    230.2449               257.9348               260.7104
 Red. masses --      1.6968                 2.4618                 1.7837
 Frc consts  --      0.0530                 0.0965                 0.0714
 IR Inten    --      2.4795                26.0061                 4.1396
 RamAct Fr= 1--      0.1387                 0.0771                 0.2695
  Dep-P Fr= 1--      0.6900                 0.4276                 0.3415
  Dep-U Fr= 1--      0.8166                 0.5990                 0.5091
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0024
 Beta2  Fr= 1--      0.0189                 0.0077                 0.0229
 AlphaG Fr= 1--      0.0018                 0.0041                -0.0050
 Gamma2 Fr= 1--     -0.1018                -0.0607                 0.0521
 Delta2 Fr= 1--     -0.1221                -0.0323                 0.0137
 Raman1 Fr= 1--       0.555                  0.309                  1.078
 ROA1   Fr= 1--     -13.683                 -6.862                  5.437
 CID1   Fr= 1--     -24.660                -22.240                  5.043
 Raman2 Fr= 1--       0.227                  0.092                  0.274
 ROA2   Fr= 1--      -1.467                 -1.199                  1.140
 CID2   Fr= 1--      -6.476                -12.969                  4.153
 Raman3 Fr= 1--       0.453                  0.185                  0.549
 ROA3   Fr= 1--     -13.683                 -6.862                  5.437
 CID3   Fr= 1--     -30.199                -37.128                  9.905
 RC180  Fr= 1--       0.633                  0.198                  0.018
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00    -0.04  -0.02   0.04    -0.02   0.00   0.01
     2   6    -0.00   0.03  -0.04    -0.02  -0.00   0.01    -0.01  -0.00   0.05
     3   6     0.01   0.02  -0.05    -0.03   0.01  -0.02     0.00   0.01   0.06
     4   6     0.00   0.04  -0.08     0.01   0.01   0.00    -0.00   0.01   0.03
     5   8     0.04   0.02   0.11     0.01  -0.02  -0.03    -0.02  -0.01  -0.06
     6   8     0.01  -0.01  -0.01    -0.07  -0.13   0.02    -0.03  -0.02  -0.01
     7   8    -0.06  -0.01   0.05     0.23   0.03   0.04    -0.04   0.04  -0.12
     8   1    -0.03   0.08  -0.04    -0.10  -0.02   0.01     0.03  -0.11   0.05
     9   1     0.11  -0.01  -0.20     0.02   0.04   0.02    -0.04   0.01   0.04
    10   1    -0.13   0.12  -0.14     0.04  -0.01   0.01     0.06   0.02   0.04
    11   1    -0.08  -0.06   0.03     0.22   0.37  -0.33    -0.04   0.01  -0.07
    12   6    -0.07   0.01  -0.04    -0.10   0.09  -0.02     0.14  -0.07   0.07
    13   6     0.07  -0.07   0.03    -0.03   0.01  -0.01    -0.03   0.04   0.01
    14   1    -0.26   0.45  -0.15    -0.17   0.24  -0.07     0.05   0.33   0.09
    15   1     0.38  -0.07  -0.07     0.02   0.07  -0.08     0.63  -0.16   0.08
    16   1    -0.39  -0.34   0.10    -0.20   0.01   0.08    -0.10  -0.44   0.03
    17   1     0.15  -0.10   0.02    -0.15   0.36  -0.06    -0.14   0.25  -0.01
    18   1    -0.00  -0.13   0.11    -0.13  -0.26  -0.26    -0.05  -0.09  -0.17
    19   1     0.15  -0.09   0.01     0.18  -0.08   0.29     0.06  -0.01   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    299.7248               344.2964               358.3916
 Red. masses --      2.3410                 2.4059                 1.1906
 Frc consts  --      0.1239                 0.1680                 0.0901
 IR Inten    --      5.6531                 6.1980                69.7190
 RamAct Fr= 1--      0.9866                 0.7644                 0.9072
  Dep-P Fr= 1--      0.3590                 0.5900                 0.7225
  Dep-U Fr= 1--      0.5283                 0.7422                 0.8389
 Alpha2 Fr= 1--      0.0084                 0.0023                 0.0004
 Beta2  Fr= 1--      0.0869                 0.0946                 0.1268
 AlphaG Fr= 1--     -0.0060                 0.0026                -0.0071
 Gamma2 Fr= 1--     -0.1676                -0.1931                 0.0903
 Delta2 Fr= 1--     -0.0699                -0.0619                 0.0649
 Raman1 Fr= 1--       3.946                  3.058                  3.629
 ROA1   Fr= 1--     -18.329                -20.521                 10.750
 CID1   Fr= 1--      -4.644                 -6.711                  2.962
 Raman2 Fr= 1--       1.043                  1.135                  1.522
 ROA2   Fr= 1--      -3.464                 -4.141                  1.649
 CID2   Fr= 1--      -3.322                 -3.649                  1.083
 Raman3 Fr= 1--       2.085                  2.269                  3.044
 ROA3   Fr= 1--     -18.329                -20.521                 10.750
 CID3   Fr= 1--      -8.791                 -9.043                  3.531
 RC180  Fr= 1--       0.057                  0.484                  0.678
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.05    -0.05  -0.02   0.00    -0.02  -0.01  -0.01
     2   6     0.03  -0.06  -0.05    -0.02  -0.07  -0.02    -0.00   0.00   0.01
     3   6     0.01  -0.04  -0.03    -0.01  -0.04  -0.02    -0.00  -0.02  -0.00
     4   6     0.01  -0.07   0.08    -0.07  -0.04  -0.08    -0.01  -0.01  -0.01
     5   8    -0.01  -0.02   0.04    -0.08  -0.03   0.00    -0.01   0.00   0.02
     6   8     0.10   0.14  -0.01    -0.03   0.05   0.01    -0.03  -0.04  -0.02
     7   8    -0.02  -0.10   0.05     0.01  -0.10   0.04     0.05   0.03  -0.04
     8   1     0.05   0.01  -0.05    -0.03  -0.07  -0.02    -0.01   0.02   0.01
     9   1    -0.04   0.01   0.20    -0.05  -0.12  -0.18    -0.01  -0.04  -0.05
    10   1     0.04  -0.21   0.14    -0.14   0.06  -0.13    -0.05   0.02  -0.03
    11   1    -0.01  -0.21   0.16    -0.03   0.01  -0.28     0.19  -0.21   0.93
    12   6    -0.09  -0.01  -0.03     0.14   0.12  -0.08     0.01   0.03  -0.02
    13   6    -0.05   0.14  -0.05     0.07   0.08   0.15     0.00   0.01   0.02
    14   1    -0.18   0.14  -0.11     0.24   0.21   0.11     0.02   0.08   0.01
    15   1     0.04  -0.03  -0.04     0.15   0.15  -0.29     0.02   0.04  -0.09
    16   1    -0.22  -0.12   0.08     0.23   0.21  -0.12     0.01   0.06   0.01
    17   1    -0.20   0.54  -0.11     0.29   0.23   0.10     0.02   0.06   0.01
    18   1    -0.01  -0.00  -0.39     0.04   0.09   0.23     0.01   0.01   0.01
    19   1    -0.03   0.09   0.29    -0.02   0.08   0.37    -0.02   0.01   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    385.4662               512.1437               547.9256
 Red. masses --      2.2147                 4.2067                 5.0902
 Frc consts  --      0.1939                 0.6501                 0.9004
 IR Inten    --      0.5740                10.6986                 2.0701
 RamAct Fr= 1--      0.6858                 1.8234                 3.0632
  Dep-P Fr= 1--      0.4908                 0.2003                 0.6314
  Dep-U Fr= 1--      0.6584                 0.3337                 0.7741
 Alpha2 Fr= 1--      0.0035                 0.0247                 0.0066
 Beta2  Fr= 1--      0.0753                 0.1014                 0.3952
 AlphaG Fr= 1--      0.0127                -0.0550                 0.0196
 Gamma2 Fr= 1--      0.1993                -0.1162                 0.6126
 Delta2 Fr= 1--     -0.0555                -0.1025                 0.1800
 Raman1 Fr= 1--       2.743                  7.294                 12.253
 ROA1   Fr= 1--      17.361                -14.433                 64.571
 CID1   Fr= 1--       6.328                 -1.979                  5.270
 Raman2 Fr= 1--       0.903                  1.217                  4.742
 ROA2   Fr= 1--       5.227                 -1.968                 13.263
 CID2   Fr= 1--       5.788                 -1.617                  2.797
 Raman3 Fr= 1--       1.806                  2.434                  9.485
 ROA3   Fr= 1--      17.361                -14.433                 64.571
 CID3   Fr= 1--       9.611                 -5.930                  6.808
 RC180  Fr= 1--       0.317                 -0.333                  0.548
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.03    -0.01   0.01   0.27     0.17  -0.01   0.05
     2   6    -0.04   0.05  -0.09     0.00  -0.04   0.24     0.02   0.15   0.09
     3   6    -0.01   0.03  -0.12     0.16  -0.03  -0.06    -0.10  -0.14  -0.04
     4   6     0.00  -0.02   0.14     0.01  -0.07  -0.00    -0.06  -0.22  -0.03
     5   8    -0.01   0.04   0.01    -0.06  -0.05  -0.07     0.03  -0.10   0.03
     6   8    -0.05  -0.06   0.04    -0.08   0.06  -0.10     0.17  -0.04  -0.06
     7   8    -0.00   0.04   0.02    -0.06   0.05  -0.04    -0.06   0.28  -0.00
     8   1    -0.10   0.12  -0.09    -0.29  -0.23   0.22    -0.04   0.21   0.09
     9   1    -0.08   0.22   0.43    -0.08  -0.04   0.08     0.01  -0.14   0.01
    10   1     0.11  -0.37   0.28     0.00  -0.17   0.04    -0.06  -0.28  -0.01
    11   1     0.00   0.06   0.04    -0.07  -0.03  -0.01    -0.11   0.23  -0.18
    12   6     0.03  -0.12  -0.12    -0.07   0.01  -0.06    -0.01   0.00  -0.13
    13   6     0.11   0.04   0.06     0.22   0.05  -0.10    -0.16  -0.02   0.10
    14   1     0.05  -0.20  -0.11    -0.23   0.02  -0.30     0.05   0.15   0.03
    15   1     0.06  -0.15   0.05    -0.20   0.03  -0.07     0.01   0.04  -0.41
    16   1     0.03  -0.20  -0.26    -0.18   0.07   0.25     0.05   0.11  -0.10
    17   1     0.34   0.08   0.03     0.25   0.08  -0.11    -0.04   0.09   0.07
    18   1     0.02   0.02   0.22     0.26   0.09  -0.11    -0.11   0.06   0.13
    19   1     0.09   0.03   0.17     0.16   0.06  -0.07    -0.32   0.00   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    562.8795               651.0688               721.8594
 Red. masses --      3.5193                 6.7744                 6.2981
 Frc consts  --      0.6570                 1.6919                 1.9336
 IR Inten    --      7.8879                 1.9480                 3.5348
 RamAct Fr= 1--      2.4137                 5.3605                12.6410
  Dep-P Fr= 1--      0.1277                 0.1541                 0.1065
  Dep-U Fr= 1--      0.2264                 0.2671                 0.1925
 Alpha2 Fr= 1--      0.0395                 0.0820                 0.2178
 Beta2  Fr= 1--      0.0911                 0.2386                 0.4055
 AlphaG Fr= 1--      0.0384                -0.0139                 0.0803
 Gamma2 Fr= 1--     -0.2978                 0.1514                -0.4613
 Delta2 Fr= 1--      0.1507                 0.1999                -0.2957
 Raman1 Fr= 1--       9.655                 21.442                 50.564
 ROA1   Fr= 1--     -23.772                 20.932                -53.745
 CID1   Fr= 1--      -2.462                  0.976                 -1.063
 Raman2 Fr= 1--       1.093                  2.863                  4.866
 ROA2   Fr= 1--      -8.354                  2.035                 -8.705
 CID2   Fr= 1--      -7.642                  0.711                 -1.789
 Raman3 Fr= 1--       2.186                  5.726                  9.733
 ROA3   Fr= 1--     -23.772                 20.932                -53.745
 CID3   Fr= 1--     -10.874                  3.655                 -5.522
 RC180  Fr= 1--      -0.547                 -0.466                 -0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.08   0.13     0.04   0.23   0.15    -0.25  -0.05  -0.20
     2   6    -0.14  -0.06   0.05    -0.02  -0.08   0.06    -0.15   0.01  -0.03
     3   6    -0.13   0.12  -0.06    -0.02  -0.19   0.00     0.05  -0.17   0.04
     4   6     0.13   0.10   0.00     0.14  -0.04  -0.03     0.30  -0.17  -0.05
     5   8     0.07  -0.13  -0.03     0.23   0.36  -0.09     0.15  -0.07   0.05
     6   8     0.04   0.18  -0.09    -0.10  -0.03  -0.03    -0.19   0.20   0.08
     7   8     0.06  -0.04  -0.01    -0.05  -0.16  -0.02    -0.01   0.15   0.02
     8   1    -0.37  -0.16   0.04    -0.13  -0.26   0.05     0.05   0.21  -0.01
     9   1     0.27   0.24   0.06    -0.05  -0.07   0.07     0.25  -0.22  -0.06
    10   1     0.20   0.08   0.03     0.18  -0.14   0.01     0.27  -0.16  -0.06
    11   1     0.11   0.08   0.22    -0.06  -0.20  -0.06    -0.00   0.31  -0.05
    12   6    -0.00  -0.02  -0.07    -0.02  -0.04  -0.11     0.02  -0.02   0.07
    13   6    -0.10  -0.04   0.07    -0.17  -0.07   0.10     0.05  -0.02  -0.02
    14   1     0.09  -0.09   0.03     0.00   0.12  -0.02    -0.02   0.13   0.07
    15   1     0.10  -0.06   0.07    -0.02   0.01  -0.41    -0.03   0.04  -0.19
    16   1     0.04  -0.14  -0.32     0.02   0.09   0.00     0.02   0.13   0.29
    17   1     0.04  -0.15   0.08    -0.15  -0.00   0.09    -0.00   0.02  -0.03
    18   1    -0.28  -0.16   0.28    -0.11  -0.00   0.07     0.15   0.04  -0.12
    19   1     0.08  -0.09   0.02    -0.29  -0.05   0.19    -0.05  -0.00   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    808.8596               894.6888               914.4906
 Red. masses --      3.3019                 4.3023                 2.2306
 Frc consts  --      1.2728                 2.0291                 1.0991
 IR Inten    --      0.8868                 2.9773                 9.3222
 RamAct Fr= 1--      8.0910                 1.8579                 2.2416
  Dep-P Fr= 1--      0.1189                 0.2120                 0.4324
  Dep-U Fr= 1--      0.2126                 0.3498                 0.6037
 Alpha2 Fr= 1--      0.1352                 0.0244                 0.0147
 Beta2  Fr= 1--      0.2867                 0.1083                 0.2256
 AlphaG Fr= 1--     -0.0607                 0.0141                -0.0328
 Gamma2 Fr= 1--     -0.1781                -0.2781                 1.0509
 Delta2 Fr= 1--      0.3684                -0.3713                 0.3295
 Raman1 Fr= 1--      32.364                  7.432                  8.966
 ROA1   Fr= 1--      -5.307                -38.579                111.435
 CID1   Fr= 1--      -0.164                 -5.191                 12.428
 Raman2 Fr= 1--       3.440                  1.300                  2.707
 ROA2   Fr= 1--      -7.222                 -3.705                 22.586
 CID2   Fr= 1--      -2.099                 -2.850                  8.345
 Raman3 Fr= 1--       6.881                  2.600                  5.413
 ROA3   Fr= 1--      -5.307                -38.579                111.435
 CID3   Fr= 1--      -0.771                -14.841                 20.585
 RC180  Fr= 1--      -0.575                 -0.300                  0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.05   0.11     0.02  -0.04  -0.28    -0.04   0.03   0.01
     2   6    -0.16   0.02  -0.16    -0.19  -0.10   0.30     0.17   0.01   0.05
     3   6    -0.06   0.02  -0.07    -0.04   0.05  -0.00    -0.01   0.13  -0.04
     4   6    -0.03  -0.17  -0.07    -0.10  -0.05  -0.02     0.03  -0.15  -0.12
     5   8     0.03   0.05  -0.02     0.07   0.12   0.03    -0.01  -0.02   0.03
     6   8     0.05  -0.01  -0.05     0.13  -0.01   0.03    -0.08   0.01   0.02
     7   8     0.00  -0.02   0.02     0.02  -0.03  -0.04     0.00  -0.02  -0.01
     8   1    -0.48   0.02  -0.18    -0.06  -0.20   0.30     0.32   0.01   0.05
     9   1    -0.10  -0.13   0.02    -0.21  -0.02   0.06     0.02   0.10   0.14
    10   1    -0.06  -0.33  -0.03    -0.10  -0.18   0.02     0.02  -0.49  -0.01
    11   1     0.04   0.14   0.10     0.08   0.34   0.03    -0.04  -0.24  -0.05
    12   6     0.01   0.06   0.26     0.00  -0.00  -0.01    -0.00   0.04   0.01
    13   6     0.06   0.02  -0.06     0.04   0.07  -0.06    -0.07   0.07   0.03
    14   1     0.11   0.04   0.41    -0.05   0.02  -0.08     0.00  -0.03  -0.02
    15   1     0.12   0.03   0.31    -0.04   0.01  -0.02     0.03   0.01   0.16
    16   1     0.06   0.00   0.07    -0.02   0.02   0.07    -0.01  -0.04  -0.08
    17   1     0.15   0.00  -0.06     0.27  -0.09  -0.06    -0.06  -0.19   0.07
    18   1    -0.01  -0.03   0.02    -0.24  -0.15   0.22    -0.36  -0.21   0.19
    19   1     0.15   0.00  -0.06     0.37  -0.02  -0.09     0.36  -0.02  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    950.3410               969.4609              1007.1773
 Red. masses --      1.6842                 1.3779                 2.0948
 Frc consts  --      0.8962                 0.7630                 1.2520
 IR Inten    --      0.2404                 0.6954                17.7927
 RamAct Fr= 1--      3.3795                 1.4920                 1.8197
  Dep-P Fr= 1--      0.6650                 0.7487                 0.7394
  Dep-U Fr= 1--      0.7988                 0.8563                 0.8502
 Alpha2 Fr= 1--      0.0051                 0.0000                 0.0003
 Beta2  Fr= 1--      0.4499                 0.2129                 0.2578
 AlphaG Fr= 1--     -0.0028                -0.0002                 0.0011
 Gamma2 Fr= 1--     -0.3961                -0.0058                -1.2181
 Delta2 Fr= 1--     -0.5984                 0.0098                -0.4486
 Raman1 Fr= 1--      13.518                  5.968                  7.279
 ROA1   Fr= 1--     -57.173                 -0.248               -131.296
 CID1   Fr= 1--      -4.229                 -0.042                -18.038
 Raman2 Fr= 1--       5.399                  2.555                  3.094
 ROA2   Fr= 1--      -4.719                 -0.218                -25.647
 CID2   Fr= 1--      -0.874                 -0.085                 -8.289
 Raman3 Fr= 1--      10.798                  5.110                  6.188
 ROA3   Fr= 1--     -57.173                 -0.248               -131.296
 CID3   Fr= 1--      -5.295                 -0.049                -21.217
 RC180  Fr= 1--       0.598                  0.713                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.00  -0.01   0.00    -0.04   0.01  -0.00
     2   6     0.05   0.00   0.04     0.01   0.00   0.01     0.10  -0.01   0.05
     3   6    -0.03  -0.06  -0.10    -0.07  -0.02   0.04    -0.10  -0.02  -0.01
     4   6    -0.03   0.12  -0.08    -0.01   0.03  -0.03    -0.10  -0.03   0.07
     5   8     0.01  -0.01   0.02     0.00  -0.00   0.01     0.14  -0.03  -0.02
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.01
     7   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
     8   1     0.06   0.01   0.03     0.05  -0.01   0.02     0.17   0.00   0.06
     9   1     0.10   0.53   0.25     0.02   0.20   0.11     0.02  -0.15  -0.12
    10   1     0.03  -0.31   0.08     0.03  -0.14   0.03    -0.02   0.22  -0.01
    11   1    -0.01  -0.08  -0.03     0.00  -0.01  -0.00    -0.03  -0.18  -0.04
    12   6     0.03  -0.03   0.11    -0.10  -0.06  -0.01    -0.08   0.07   0.01
    13   6    -0.04  -0.05  -0.05     0.10   0.04   0.01     0.04  -0.03  -0.10
    14   1    -0.03   0.14   0.10     0.16   0.18   0.50     0.13  -0.10   0.27
    15   1    -0.08   0.04  -0.16     0.12  -0.03  -0.44     0.17  -0.02   0.26
    16   1     0.03   0.14   0.34     0.14   0.09  -0.27     0.00  -0.15  -0.48
    17   1     0.30   0.13  -0.12    -0.26  -0.09   0.07     0.38   0.18  -0.17
    18   1    -0.02   0.08   0.13     0.17  -0.01  -0.24     0.07   0.11   0.08
    19   1    -0.24  -0.03   0.24     0.17   0.05  -0.26    -0.17  -0.01   0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.5317              1049.4553              1130.4699
 Red. masses --      3.3424                 1.5872                 3.9577
 Frc consts  --      2.0751                 1.0299                 2.9800
 IR Inten    --     74.3845                14.1897               252.7943
 RamAct Fr= 1--      1.5906                 0.7322                 2.1559
  Dep-P Fr= 1--      0.7035                 0.7272                 0.4360
  Dep-U Fr= 1--      0.8260                 0.8421                 0.6072
 Alpha2 Fr= 1--      0.0013                 0.0003                 0.0140
 Beta2  Fr= 1--      0.2190                 0.1028                 0.2182
 AlphaG Fr= 1--      0.0082                 0.0011                -0.0270
 Gamma2 Fr= 1--      1.4451                -0.3182                -0.1519
 Delta2 Fr= 1--      0.1332                 0.0944                 0.4436
 Raman1 Fr= 1--       6.362                  2.929                  8.624
 ROA1   Fr= 1--     142.995                -27.521                 -0.392
 CID1   Fr= 1--      22.475                 -9.397                 -0.045
 Raman2 Fr= 1--       2.628                  1.233                  2.618
 ROA2   Fr= 1--      33.618                 -8.391                 -7.195
 CID2   Fr= 1--      12.794                 -6.805                 -2.748
 Raman3 Fr= 1--       5.255                  2.466                  5.236
 ROA3   Fr= 1--     142.995                -27.521                 -0.392
 CID3   Fr= 1--      27.210                -11.159                 -0.075
 RC180  Fr= 1--       0.652                  0.684                  0.214
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.06  -0.03     0.00  -0.02  -0.05     0.04   0.24  -0.03
     2   6     0.02  -0.02   0.05    -0.01  -0.02   0.06    -0.07   0.27   0.09
     3   6    -0.09  -0.05  -0.01     0.03   0.01  -0.03    -0.07   0.03   0.05
     4   6     0.28  -0.01   0.04     0.06  -0.01  -0.09    -0.01  -0.08   0.00
     5   8    -0.24   0.06   0.02    -0.06   0.04   0.03    -0.01  -0.13   0.02
     6   8     0.03  -0.06   0.00     0.02  -0.01   0.01    -0.02  -0.02   0.00
     7   8    -0.00   0.01  -0.00     0.00   0.00  -0.01    -0.01  -0.22  -0.08
     8   1     0.06  -0.01   0.05    -0.15  -0.03   0.05     0.24   0.23   0.09
     9   1     0.27  -0.20  -0.15     0.00   0.16   0.11     0.49   0.17  -0.04
    10   1     0.09   0.27  -0.08     0.05  -0.25  -0.00     0.09   0.00  -0.01
    11   1    -0.03  -0.10  -0.05     0.00   0.02  -0.01     0.13   0.42   0.11
    12   6    -0.07  -0.00   0.03    -0.03   0.10  -0.01     0.03  -0.01  -0.03
    13   6    -0.01   0.01  -0.12     0.02  -0.09   0.06     0.05  -0.04  -0.01
    14   1     0.09   0.04   0.29     0.05  -0.18  -0.01    -0.05  -0.01  -0.15
    15   1     0.10  -0.02  -0.09     0.13   0.00   0.42    -0.06   0.01   0.01
    16   1     0.05  -0.01  -0.21    -0.05  -0.17  -0.34    -0.03   0.02   0.14
    17   1     0.48   0.06  -0.17    -0.26   0.12   0.05     0.03   0.10  -0.03
    18   1    -0.21  -0.04   0.27     0.35   0.17  -0.25     0.21   0.12  -0.10
    19   1     0.06  -0.05   0.16    -0.37   0.02   0.07    -0.12   0.01   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1180.5115              1192.6554              1226.0178
 Red. masses --      1.8675                 2.5416                 1.5189
 Frc consts  --      1.5334                 2.1300                 1.3452
 IR Inten    --     15.7494                19.9778                22.9007
 RamAct Fr= 1--      4.0127                 2.6522                 1.1749
  Dep-P Fr= 1--      0.7430                 0.6747                 0.7240
  Dep-U Fr= 1--      0.8525                 0.8057                 0.8399
 Alpha2 Fr= 1--      0.0005                 0.0035                 0.0005
 Beta2  Fr= 1--      0.5702                 0.3562                 0.1645
 AlphaG Fr= 1--      0.0094                -0.0073                 0.0030
 Gamma2 Fr= 1--      0.0242                 0.1619                 0.4505
 Delta2 Fr= 1--     -0.1455                -0.0624                 0.0046
 Raman1 Fr= 1--      16.051                 10.609                  4.700
 ROA1   Fr= 1--      -2.337                 13.543                 43.392
 CID1   Fr= 1--      -0.146                  1.277                  9.233
 Raman2 Fr= 1--       6.842                  4.274                  1.974
 ROA2   Fr= 1--       1.744                  4.384                 10.775
 CID2   Fr= 1--       0.255                  1.026                  5.459
 Raman3 Fr= 1--      13.684                  8.548                  3.947
 ROA3   Fr= 1--      -2.337                 13.543                 43.392
 CID3   Fr= 1--      -0.171                  1.584                 10.993
 RC180  Fr= 1--       0.705                  0.611                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.14   0.10     0.03   0.18   0.01     0.00   0.03  -0.02
     2   6    -0.05   0.05  -0.04    -0.04  -0.17  -0.09     0.02   0.08   0.02
     3   6    -0.05   0.06   0.12    -0.05  -0.09   0.13     0.09  -0.10  -0.00
     4   6     0.03  -0.01  -0.07    -0.04   0.03  -0.09    -0.01   0.06  -0.05
     5   8    -0.01   0.06   0.01    -0.00  -0.06   0.03    -0.00  -0.05   0.05
     6   8     0.01   0.01  -0.02     0.01  -0.02  -0.01    -0.00  -0.00   0.00
     7   8     0.00  -0.03  -0.01    -0.03   0.09   0.06     0.00  -0.04  -0.02
     8   1     0.59   0.18   0.00     0.33  -0.46  -0.05    -0.37   0.21  -0.00
     9   1    -0.52  -0.13   0.13     0.10   0.35   0.15    -0.54  -0.09   0.11
    10   1     0.25  -0.12   0.00     0.42  -0.02   0.02     0.56   0.14   0.03
    11   1     0.05   0.19   0.05     0.00   0.20   0.11     0.00  -0.03  -0.03
    12   6     0.00  -0.01  -0.04     0.03   0.05  -0.04    -0.03   0.03   0.00
    13   6     0.01  -0.04  -0.06     0.03   0.03  -0.04    -0.04   0.04  -0.01
    14   1    -0.02   0.01  -0.07    -0.02  -0.14  -0.20     0.05  -0.07   0.09
    15   1    -0.04  -0.00  -0.04    -0.02   0.02   0.18     0.10  -0.01   0.05
    16   1    -0.01  -0.01  -0.01    -0.09  -0.13  -0.05    -0.00  -0.04  -0.14
    17   1     0.22   0.12  -0.11     0.13  -0.04  -0.04     0.04  -0.10   0.01
    18   1     0.07   0.10   0.05    -0.03  -0.02   0.01    -0.17  -0.09   0.09
    19   1    -0.09  -0.03   0.12     0.15  -0.00  -0.02     0.13  -0.01   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1246.3210              1259.2052              1312.8070
 Red. masses --      1.6359                 2.3023                 1.9000
 Frc consts  --      1.4971                 2.1509                 1.9293
 IR Inten    --      5.9440                41.7650                 8.5763
 RamAct Fr= 1--      2.9537                 4.3834                 4.2770
  Dep-P Fr= 1--      0.7208                 0.6601                 0.7074
  Dep-U Fr= 1--      0.8378                 0.7953                 0.8286
 Alpha2 Fr= 1--      0.0015                 0.0070                 0.0032
 Beta2  Fr= 1--      0.4124                 0.5810                 0.5907
 AlphaG Fr= 1--     -0.0024                -0.0012                -0.0133
 Gamma2 Fr= 1--     -0.9883                -1.8308                 1.7656
 Delta2 Fr= 1--     -0.7178                -0.9050                 0.8526
 Raman1 Fr= 1--      11.815                 17.534                 17.108
 ROA1   Fr= 1--    -117.850               -204.720                196.777
 CID1   Fr= 1--      -9.975                -11.676                 11.502
 Raman2 Fr= 1--       4.949                  6.972                  7.088
 ROA2   Fr= 1--     -17.978                -36.700                 35.553
 CID2   Fr= 1--      -3.633                 -5.264                  5.016
 Raman3 Fr= 1--       9.898                 13.944                 14.177
 ROA3   Fr= 1--    -117.850               -204.720                196.777
 CID3   Fr= 1--     -11.906                -14.682                 13.880
 RC180  Fr= 1--       0.676                  0.591                  0.657
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05     0.01   0.07  -0.02    -0.01  -0.06  -0.02
     2   6     0.04  -0.00  -0.01    -0.01  -0.05  -0.03    -0.01   0.10  -0.03
     3   6    -0.07   0.16   0.05     0.25   0.13   0.02     0.04  -0.05   0.22
     4   6    -0.00  -0.06  -0.03    -0.02  -0.01  -0.00     0.00   0.01  -0.03
     5   8     0.00  -0.02   0.03     0.00  -0.04  -0.00     0.01   0.01  -0.02
     6   8    -0.01  -0.01   0.01    -0.01  -0.00   0.00    -0.00   0.01   0.00
     7   8     0.02   0.02   0.02    -0.04  -0.00   0.02     0.02  -0.01   0.00
     8   1    -0.48  -0.38  -0.03     0.07  -0.21  -0.02    -0.47  -0.14  -0.06
     9   1    -0.19  -0.11   0.03    -0.03  -0.05  -0.03     0.24   0.20   0.03
    10   1     0.38   0.12  -0.02    -0.16  -0.14   0.01    -0.45  -0.34   0.02
    11   1    -0.06  -0.35  -0.07     0.08   0.51   0.16    -0.04  -0.29  -0.08
    12   6     0.03  -0.07  -0.01    -0.10  -0.05   0.01    -0.01   0.02  -0.05
    13   6     0.02  -0.06  -0.01    -0.08  -0.06  -0.03    -0.02   0.02  -0.07
    14   1    -0.07   0.15  -0.06     0.06   0.10   0.30     0.00  -0.11  -0.09
    15   1    -0.11  -0.00  -0.21     0.19  -0.05  -0.26     0.05  -0.00  -0.01
    16   1     0.05   0.10   0.15     0.15   0.13  -0.25    -0.03  -0.08  -0.15
    17   1     0.03   0.18  -0.05     0.09   0.08  -0.06     0.21  -0.03  -0.07
    18   1     0.15   0.13  -0.01    -0.09   0.07   0.21    -0.06   0.06   0.13
    19   1    -0.17  -0.01   0.05    -0.19  -0.06   0.25     0.15  -0.05   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1367.0538              1394.9468              1399.9303
 Red. masses --      1.3478                 1.6177                 1.4516
 Frc consts  --      1.4840                 1.8546                 1.6761
 IR Inten    --      4.2964                 6.5224                13.0925
 RamAct Fr= 1--      2.4875                 1.7870                 0.7810
  Dep-P Fr= 1--      0.5656                 0.4901                 0.7461
  Dep-U Fr= 1--      0.7225                 0.6578                 0.8546
 Alpha2 Fr= 1--      0.0087                 0.0092                 0.0001
 Beta2  Fr= 1--      0.2995                 0.1959                 0.1112
 AlphaG Fr= 1--      0.0208                 0.0077                -0.0028
 Gamma2 Fr= 1--      1.4928                -0.6060                 0.7434
 Delta2 Fr= 1--      0.7537                 0.0489                 0.3798
 Raman1 Fr= 1--       9.950                  7.148                  3.124
 ROA1   Fr= 1--     167.424                -56.614                 83.522
 CID1   Fr= 1--      16.826                 -7.920                 26.736
 Raman2 Fr= 1--       3.595                  2.351                  1.335
 ROA2   Fr= 1--      29.796                -14.936                 14.804
 CID2   Fr= 1--       8.289                 -6.353                 11.090
 Raman3 Fr= 1--       7.189                  4.702                  2.670
 ROA3   Fr= 1--     167.424                -56.614                 83.522
 CID3   Fr= 1--      23.288                -12.040                 31.285
 RC180  Fr= 1--       0.445                  0.316                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.03  -0.13   0.01    -0.00   0.02  -0.01
     2   6     0.04  -0.12   0.00     0.11   0.08  -0.02     0.12  -0.03  -0.00
     3   6     0.01   0.04   0.06    -0.00  -0.04  -0.02    -0.09  -0.01   0.01
     4   6    -0.05  -0.06  -0.01    -0.04  -0.07   0.00     0.05   0.05   0.00
     5   8    -0.01   0.04  -0.00    -0.02   0.08  -0.00     0.01  -0.02  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     7   8    -0.01   0.00  -0.02    -0.04  -0.02   0.01    -0.04  -0.02  -0.00
     8   1    -0.28   0.78  -0.01    -0.15  -0.50  -0.03    -0.27   0.01  -0.02
     9   1     0.33   0.23   0.05     0.32   0.19   0.04    -0.25  -0.17  -0.03
    10   1     0.22   0.17  -0.04     0.32   0.28  -0.04    -0.25  -0.18   0.02
    11   1     0.02   0.11   0.00     0.08   0.52   0.16     0.07   0.51   0.14
    12   6     0.01  -0.01  -0.00    -0.01   0.00  -0.02     0.04   0.02   0.07
    13   6    -0.01  -0.01  -0.02    -0.02   0.02   0.01     0.01   0.00   0.00
    14   1    -0.03   0.03  -0.05     0.05   0.01   0.08    -0.16  -0.08  -0.30
    15   1    -0.04   0.01  -0.08     0.04  -0.03   0.13    -0.17   0.11  -0.33
    16   1     0.02  -0.02  -0.04    -0.01   0.06   0.09    -0.01  -0.25  -0.25
    17   1     0.04   0.04  -0.02     0.06  -0.02   0.00     0.05   0.03  -0.01
    18   1     0.02   0.06   0.05    -0.01  -0.01  -0.04     0.03  -0.00  -0.06
    19   1     0.03  -0.02   0.03     0.08  -0.00  -0.05     0.03   0.01  -0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1411.4127              1435.8153              1485.5882
 Red. masses --      1.3183                 1.2793                 1.0451
 Frc consts  --      1.5473                 1.5539                 1.3590
 IR Inten    --      9.8421                 9.1322                 0.5286
 RamAct Fr= 1--      0.2882                 0.3495                 5.0105
  Dep-P Fr= 1--      0.3469                 0.7484                 0.7475
  Dep-U Fr= 1--      0.5151                 0.8561                 0.8555
 Alpha2 Fr= 1--      0.0026                 0.0000                 0.0002
 Beta2  Fr= 1--      0.0247                 0.0499                 0.7144
 AlphaG Fr= 1--     -0.0073                 0.0007                 0.0026
 Gamma2 Fr= 1--      0.0972                -0.0538                 0.3134
 Delta2 Fr= 1--      0.0211                -0.1045                -0.0461
 Raman1 Fr= 1--       1.153                  1.398                 20.042
 ROA1   Fr= 1--      10.010                 -8.514                 28.612
 CID1   Fr= 1--       8.684                 -6.091                  1.428
 Raman2 Fr= 1--       0.297                  0.598                  8.573
 ROA2   Fr= 1--       2.165                 -0.456                  7.891
 CID2   Fr= 1--       7.292                 -0.763                  0.920
 Raman3 Fr= 1--       0.594                  1.197                 17.146
 ROA3   Fr= 1--      10.010                 -8.514                 28.612
 CID3   Fr= 1--      16.859                 -7.115                  1.669
 RC180  Fr= 1--       0.030                  0.712                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
     2   6    -0.05   0.02   0.01     0.05  -0.04  -0.00    -0.00   0.00  -0.00
     3   6     0.05   0.00  -0.03    -0.03   0.00   0.01     0.01  -0.00  -0.01
     4   6    -0.02  -0.02   0.01     0.04   0.03  -0.00    -0.01   0.01   0.00
     5   8    -0.01   0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.14  -0.07   0.02    -0.15   0.13  -0.01     0.01  -0.01  -0.00
     9   1     0.09   0.05   0.00    -0.20  -0.07   0.03     0.03  -0.03  -0.05
    10   1     0.11   0.09  -0.01    -0.22  -0.10  -0.00     0.04  -0.03   0.03
    11   1    -0.03  -0.18  -0.05     0.02   0.17   0.04    -0.00   0.00  -0.00
    12   6    -0.00   0.01   0.07    -0.01  -0.02  -0.10     0.00   0.04  -0.01
    13   6    -0.11  -0.03   0.06    -0.06  -0.02   0.03     0.00  -0.04  -0.00
    14   1    -0.12  -0.09  -0.19     0.18   0.13   0.29     0.23  -0.37   0.17
    15   1     0.04   0.05  -0.26     0.03  -0.10   0.41     0.03   0.05  -0.24
    16   1     0.07  -0.08  -0.24    -0.06   0.20   0.35    -0.29  -0.23   0.23
    17   1     0.44   0.14  -0.04     0.30   0.11  -0.04    -0.24   0.44  -0.06
    18   1     0.28   0.23  -0.32     0.20   0.18  -0.20    -0.02   0.19   0.39
    19   1     0.38  -0.10  -0.28     0.27  -0.07  -0.19     0.16  -0.04  -0.24
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.4236              1507.4508              1512.0477
 Red. masses --      1.0512                 1.0588                 1.0620
 Frc consts  --      1.3813                 1.4176                 1.4305
 IR Inten    --      3.3729                10.8047                11.3274
 RamAct Fr= 1--      1.9298                 4.7363                 1.8732
  Dep-P Fr= 1--      0.6014                 0.7433                 0.7496
  Dep-U Fr= 1--      0.7511                 0.8528                 0.8569
 Alpha2 Fr= 1--      0.0053                 0.0005                 0.0000
 Beta2  Fr= 1--      0.2416                 0.6732                 0.2675
 AlphaG Fr= 1--     -0.0051                -0.0010                 0.0003
 Gamma2 Fr= 1--     -0.9488                 0.3260                -0.0720
 Delta2 Fr= 1--     -0.2192                 0.4287                -0.1959
 Raman1 Fr= 1--       7.719                 18.945                  7.493
 ROA1   Fr= 1--     -98.098                 45.015                -13.181
 CID1   Fr= 1--     -12.708                  2.376                 -1.759
 Raman2 Fr= 1--       2.899                  8.078                  3.210
 ROA2   Fr= 1--     -21.017                  4.394                 -0.160
 CID2   Fr= 1--      -7.250                  0.544                 -0.050
 Raman3 Fr= 1--       5.798                 16.156                  6.420
 ROA3   Fr= 1--     -98.098                 45.015                -13.181
 CID3   Fr= 1--     -16.920                  2.786                 -2.053
 RC180  Fr= 1--       0.502                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   6    -0.02  -0.01   0.02    -0.02  -0.04  -0.02    -0.04   0.02  -0.02
     4   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.03   0.04  -0.01     0.02  -0.02  -0.00    -0.01   0.03   0.00
     9   1    -0.05   0.06   0.09    -0.03   0.01   0.02    -0.00  -0.07  -0.07
    10   1    -0.09   0.05  -0.04    -0.03   0.02  -0.01     0.05  -0.06   0.03
    11   1     0.00   0.01   0.00     0.00   0.02   0.01     0.00   0.02   0.00
    12   6    -0.04  -0.00   0.01    -0.01  -0.02   0.02    -0.03   0.02   0.01
    13   6     0.03  -0.01   0.03     0.00  -0.02  -0.03    -0.01   0.02  -0.02
    14   1    -0.11  -0.22  -0.24    -0.23   0.24  -0.23     0.04  -0.44  -0.12
    15   1     0.48  -0.10  -0.01     0.10  -0.07   0.21     0.47  -0.05  -0.18
    16   1     0.19   0.34   0.06     0.29   0.27  -0.19    -0.01   0.18   0.25
    17   1     0.13   0.30  -0.05    -0.36   0.17  -0.01    -0.07  -0.37   0.06
    18   1    -0.19  -0.28   0.01     0.10   0.35   0.38     0.17   0.18  -0.12
    19   1    -0.25   0.12  -0.39     0.34  -0.11   0.06     0.15  -0.08   0.40
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1521.5020              1846.4378              2947.3073
 Red. masses --      1.0887                12.7879                 1.0798
 Frc consts  --      1.4850                25.6874                 5.5266
 IR Inten    --      3.8991               396.9483                32.7322
 RamAct Fr= 1--      4.8443                21.0965                88.8551
  Dep-P Fr= 1--      0.7123                 0.2588                 0.1862
  Dep-U Fr= 1--      0.8320                 0.4112                 0.3140
 Alpha2 Fr= 1--      0.0032                 0.2439                 1.2513
 Beta2  Fr= 1--      0.6717                 1.4458                 4.6496
 AlphaG Fr= 1--      0.0125                -0.2213                -0.4422
 Gamma2 Fr= 1--      0.7511                -1.5259                -1.8841
 Delta2 Fr= 1--     -0.0982                -0.0104                -0.4750
 Raman1 Fr= 1--      19.377                 84.386                355.421
 ROA1   Fr= 1--      68.959               -146.820               -196.068
 CID1   Fr= 1--       3.559                 -1.740                 -0.552
 Raman2 Fr= 1--       8.061                 17.350                 55.795
 ROA2   Fr= 1--      18.811                -36.538                -41.418
 CID2   Fr= 1--       2.334                 -2.106                 -0.742
 Raman3 Fr= 1--      16.121                 34.700                111.589
 ROA3   Fr= 1--      68.959               -146.820               -196.068
 CID3   Fr= 1--       4.278                 -4.231                 -1.757
 RC180  Fr= 1--       0.664                 -0.178                 -0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.80  -0.19  -0.15     0.00   0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.05  -0.03   0.01     0.00   0.00  -0.08
     3   6     0.00   0.00  -0.01    -0.02  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.04  -0.07  -0.02    -0.05   0.02  -0.00    -0.00   0.00   0.00
     5   8     0.01  -0.01  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
     6   8    -0.01   0.00   0.00    -0.50   0.13   0.09    -0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     8   1     0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.06   0.00   0.99
     9   1    -0.27   0.32   0.53     0.00   0.04  -0.05     0.00  -0.00   0.00
    10   1    -0.38   0.51  -0.27     0.08  -0.00   0.04     0.00  -0.00  -0.02
    11   1    -0.00  -0.01  -0.00    -0.00   0.12   0.01     0.01  -0.00  -0.01
    12   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.04  -0.08   0.03     0.00  -0.02  -0.01    -0.00  -0.00   0.00
    15   1    -0.02   0.02  -0.08     0.02  -0.01   0.01     0.00   0.00   0.00
    16   1    -0.07  -0.08   0.03    -0.00   0.01   0.02     0.01  -0.01   0.00
    17   1    -0.06  -0.07   0.01    -0.00  -0.00   0.00    -0.01  -0.00  -0.03
    18   1     0.03   0.05   0.02     0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.04  -0.02   0.10     0.02  -0.00  -0.01     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3030.2103              3040.7838              3050.0035
 Red. masses --      1.0357                 1.0375                 1.0636
 Frc consts  --      5.6032                 5.6523                 5.8296
 IR Inten    --     19.2854                15.7264                38.7637
 RamAct Fr= 1--     90.9658               148.5477               209.4984
  Dep-P Fr= 1--      0.0105                 0.0198                 0.0484
  Dep-U Fr= 1--      0.0209                 0.0389                 0.0923
 Alpha2 Fr= 1--      1.9723                 3.1512                 4.1541
 Beta2  Fr= 1--      0.3162                 0.9633                 3.2232
 AlphaG Fr= 1--     -0.1238                -0.4165                 0.9852
 Gamma2 Fr= 1--      0.6481                -1.2699                 3.9057
 Delta2 Fr= 1--      0.0593                -0.6580                -3.6349
 Raman1 Fr= 1--     363.863                594.191                837.993
 ROA1   Fr= 1--      64.119               -142.969                258.630
 CID1   Fr= 1--       0.176                 -0.241                  0.309
 Raman2 Fr= 1--       3.794                 11.560                 38.678
 ROA2   Fr= 1--      15.081                -25.214                122.815
 CID2   Fr= 1--       3.975                 -2.181                  3.175
 Raman3 Fr= 1--       7.588                 23.120                 77.356
 ROA3   Fr= 1--      64.119               -142.969                258.630
 CID3   Fr= 1--       8.450                 -6.184                  3.343
 RC180  Fr= 1--      -0.958                 -0.922                 -0.815
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.02  -0.04  -0.05
     5   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.02
     9   1     0.02  -0.02   0.03     0.03  -0.05   0.06    -0.13   0.22  -0.24
    10   1     0.02  -0.03  -0.10     0.03  -0.04  -0.15    -0.15   0.27   0.85
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.01     0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.04  -0.00  -0.03     0.01   0.00  -0.01     0.01   0.00  -0.00
    14   1    -0.09  -0.03   0.05     0.51   0.15  -0.31     0.09   0.03  -0.05
    15   1     0.01   0.08   0.01    -0.07  -0.39  -0.05    -0.01  -0.06  -0.01
    16   1     0.10  -0.07   0.04    -0.49   0.34  -0.22    -0.07   0.05  -0.03
    17   1     0.08   0.10   0.58     0.01   0.02   0.11     0.01   0.01   0.06
    18   1    -0.46   0.35  -0.22    -0.07   0.05  -0.03    -0.08   0.06  -0.04
    19   1    -0.11  -0.45  -0.06    -0.02  -0.07  -0.01    -0.02  -0.09  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3090.1686              3099.1547              3103.8952
 Red. masses --      1.1018                 1.1021                 1.1013
 Frc consts  --      6.1992                 6.2369                 6.2514
 IR Inten    --     21.6981                26.7790                15.3657
 RamAct Fr= 1--     51.2741                55.8932                50.3152
  Dep-P Fr= 1--      0.7472                 0.7421                 0.7470
  Dep-U Fr= 1--      0.8553                 0.8520                 0.8552
 Alpha2 Fr= 1--      0.0025                 0.0075                 0.0026
 Beta2  Fr= 1--      7.3090                 7.9365                 7.1715
 AlphaG Fr= 1--      0.0057                 0.0085                -0.0009
 Gamma2 Fr= 1--     -0.3897                -6.1313                -6.2807
 Delta2 Fr= 1--     -0.5342                -1.0909                -6.1268
 Raman1 Fr= 1--     205.096                223.573                201.261
 ROA1   Fr= 1--     -54.504               -623.513               -799.005
 CID1   Fr= 1--      -0.266                 -2.789                 -3.970
 Raman2 Fr= 1--      87.708                 95.238                 86.058
 ROA2   Fr= 1--      -5.079               -138.423               -101.723
 CID2   Fr= 1--      -0.058                 -1.453                 -1.182
 Raman3 Fr= 1--     175.415                190.476                172.115
 ROA3   Fr= 1--     -54.504               -623.513               -799.005
 CID3   Fr= 1--      -0.311                 -3.273                 -4.642
 RC180  Fr= 1--       0.711                  0.704                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00   0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   1    -0.02   0.03  -0.03    -0.01   0.02  -0.02    -0.03   0.05  -0.05
    10   1    -0.00   0.00   0.01     0.00  -0.01  -0.02     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.01  -0.00  -0.00    -0.09   0.01   0.01     0.01   0.01  -0.00
    13   6    -0.05   0.03  -0.07    -0.01  -0.00  -0.01    -0.01  -0.08  -0.03
    14   1    -0.09  -0.03   0.06     0.58   0.18  -0.37    -0.06  -0.02   0.04
    15   1     0.01   0.03   0.00    -0.02   0.01   0.00    -0.01  -0.07  -0.01
    16   1    -0.07   0.05  -0.03     0.51  -0.37   0.25    -0.02   0.02  -0.01
    17   1     0.07   0.13   0.65     0.01   0.02   0.12     0.05   0.05   0.40
    18   1     0.54  -0.41   0.23     0.07  -0.06   0.03    -0.20   0.13  -0.10
    19   1    -0.04  -0.10  -0.03     0.01   0.05   0.00     0.22   0.83   0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3120.5568              3127.0583              3723.3763
 Red. masses --      1.1028                 1.1000                 1.0656
 Frc consts  --      6.3270                 6.3375                 8.7043
 IR Inten    --     16.1869                14.2538                63.8405
 RamAct Fr= 1--     80.0694                59.5661                62.5302
  Dep-P Fr= 1--      0.4423                 0.7065                 0.1291
  Dep-U Fr= 1--      0.6134                 0.8280                 0.2287
 Alpha2 Fr= 1--      0.5061                 0.0450                 1.0188
 Beta2  Fr= 1--      8.1851                 8.2204                 2.3833
 AlphaG Fr= 1--     -0.1313                 0.0710                 0.4429
 Gamma2 Fr= 1--      3.7249                 8.2169                 2.9187
 Delta2 Fr= 1--      7.1052                 2.5667                 0.3695
 Raman1 Fr= 1--     320.278                238.264                250.121
 ROA1   Fr= 1--     584.962                870.958                292.022
 CID1   Fr= 1--       1.826                  3.655                  1.168
 Raman2 Fr= 1--      98.221                 98.645                 28.599
 ROA2   Fr= 1--      32.557                176.672                 67.094
 CID2   Fr= 1--       0.331                  1.791                  2.346
 Raman3 Fr= 1--     196.443                197.289                 57.198
 ROA3   Fr= 1--     584.962                870.958                292.022
 CID3   Fr= 1--       2.978                  4.415                  5.105
 RC180  Fr= 1--       0.227                  0.656                 -0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.04  -0.08     0.00  -0.01   0.01     0.00   0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.01   0.01
     8   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     9   1     0.35  -0.60   0.60    -0.06   0.11  -0.11    -0.00  -0.00   0.00
    10   1    -0.06   0.12   0.31     0.01  -0.02  -0.06    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.97  -0.16  -0.18
    12   6    -0.00  -0.02   0.00    -0.01  -0.09   0.01     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00   0.00
    14   1     0.05   0.01  -0.03     0.22   0.05  -0.13     0.00   0.00  -0.00
    15   1     0.03   0.16   0.03     0.17   0.87   0.13    -0.00  -0.00  -0.00
    16   1    -0.02   0.01  -0.00    -0.24   0.15  -0.11     0.00  -0.00   0.00
    17   1     0.01   0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01  -0.01   0.00    -0.03   0.02  -0.01     0.00  -0.00   0.00
    19   1     0.02   0.06   0.01     0.02   0.06   0.01    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   745.200861147.531651480.22458
           X            0.99957  -0.02938  -0.00076
           Y            0.02939   0.99953   0.00922
           Z            0.00049  -0.00924   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11623     0.07548     0.05851
 Rotational constants (GHZ):           2.42182     1.57272     1.21923
 Zero-point vibrational energy     415752.2 (Joules/Mol)
                                   99.36716 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    139.61   271.37   306.36   331.27   371.11
          (Kelvin)            375.10   431.24   495.37   515.65   554.60
                              736.86   788.34   809.86   936.74  1038.59
                             1163.77  1287.26  1315.75  1367.33  1394.84
                             1449.10  1476.95  1509.93  1626.49  1698.49
                             1715.97  1763.97  1793.18  1811.72  1888.84
                             1966.89  2007.02  2014.19  2030.71  2065.82
                             2137.43  2148.70  2168.89  2175.50  2189.10
                             2656.61  4240.52  4359.80  4375.01  4388.27
                             4446.06  4458.99  4465.81  4489.79  4499.14
                             5357.11
 
 Zero-point correction=                           0.158352 (Hartree/Particle)
 Thermal correction to Energy=                    0.167336
 Thermal correction to Enthalpy=                  0.168280
 Thermal correction to Gibbs Free Energy=         0.125241
 Sum of electronic and zero-point Energies=           -460.398965
 Sum of electronic and thermal Energies=              -460.389980
 Sum of electronic and thermal Enthalpies=            -460.389036
 Sum of electronic and thermal Free Energies=         -460.432075
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.005             34.185             90.583
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.628
 Vibrational            103.228             28.223             21.454
 Vibration     1          0.603              1.951              3.513
 Vibration     2          0.633              1.856              2.241
 Vibration     3          0.644              1.821              2.018
 Vibration     4          0.652              1.795              1.877
 Vibration     5          0.667              1.749              1.676
 Vibration     6          0.669              1.745              1.657
 Vibration     7          0.692              1.674              1.418
 Vibration     8          0.723              1.587              1.192
 Vibration     9          0.733              1.558              1.129
 Vibration    10          0.754              1.501              1.018
 Vibration    11          0.867              1.223              0.628
 Vibration    12          0.903              1.144              0.548
 Vibration    13          0.919              1.112              0.518
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.247195D-57        -57.606960       -132.644927
 Total V=0       0.169699D+16         15.229678         35.067631
 Vib (Bot)       0.105276D-70        -70.977673       -163.432131
 Vib (Bot)    1  0.211618D+01          0.325552          0.749611
 Vib (Bot)    2  0.106166D+01          0.025984          0.059829
 Vib (Bot)    3  0.931674D+00         -0.030736         -0.070772
 Vib (Bot)    4  0.855337D+00         -0.067863         -0.156259
 Vib (Bot)    5  0.753788D+00         -0.122751         -0.282645
 Vib (Bot)    6  0.744748D+00         -0.127991         -0.294709
 Vib (Bot)    7  0.634602D+00         -0.197499         -0.454757
 Vib (Bot)    8  0.537846D+00         -0.269342         -0.620183
 Vib (Bot)    9  0.511972D+00         -0.290754         -0.669486
 Vib (Bot)   10  0.467256D+00         -0.330446         -0.760879
 Vib (Bot)   11  0.317437D+00         -0.498343         -1.147477
 Vib (Bot)   12  0.286982D+00         -0.542146         -1.248337
 Vib (Bot)   13  0.275345D+00         -0.560123         -1.289731
 Vib (V=0)       0.722713D+02          1.858966          4.280426
 Vib (V=0)    1  0.267444D+01          0.427233          0.983741
 Vib (V=0)    2  0.167350D+01          0.223627          0.514920
 Vib (V=0)    3  0.155736D+01          0.192390          0.442994
 Vib (V=0)    4  0.149076D+01          0.173407          0.399285
 Vib (V=0)    5  0.140454D+01          0.147535          0.339711
 Vib (V=0)    6  0.139702D+01          0.145203          0.334343
 Vib (V=0)    7  0.130791D+01          0.116578          0.268431
 Vib (V=0)    8  0.123436D+01          0.091440          0.210549
 Vib (V=0)    9  0.121562D+01          0.084799          0.195256
 Vib (V=0)   10  0.118434D+01          0.073478          0.169190
 Vib (V=0)   11  0.109226D+01          0.038324          0.088244
 Vib (V=0)   12  0.107651D+01          0.032016          0.073720
 Vib (V=0)   13  0.107080D+01          0.029709          0.068408
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.402743D+06          5.605028         12.906055
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333333  2                                     1      1111111111111111 1 111                                  
     7                11100000  9                                     8      5554444433322211 1 0009998  8  7 6  555  333322221      
     2                22099543  4                                     4      2109831096154298 3 4206519  0  2 5  641  854065318  9   
     3                71490010  7                                     6      2273661057396631 0 9779045  9  2 1  382  584018039  7   
 
     X                XXXXXXXX  X                                     X      XXXXXXXXXXXXXXXX X XXXXXXX  X  X X  XXX  XXXXXXXXX  X   
     X                     X    X                                     X                 X     X  X                     X             
     X                                                                X                       X  X                     X             
                                                                      X                       X  X                     X             
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012239   -0.000009178    0.000003171
      2        6           0.000000981    0.000006489   -0.000000218
      3        6           0.000001909    0.000004565    0.000008661
      4        6          -0.000006395    0.000002771    0.000000441
      5        8           0.000009136   -0.000005550   -0.000001346
      6        8           0.000000887    0.000001750    0.000000212
      7        8           0.000000812    0.000002869   -0.000001188
      8        1           0.000002937    0.000000729    0.000000675
      9        1           0.000001086    0.000000457   -0.000001954
     10        1          -0.000004314    0.000004280    0.000002331
     11        1           0.000000390   -0.000002630    0.000000848
     12        6           0.000001448   -0.000005122   -0.000001887
     13        6           0.000001857   -0.000006042    0.000002440
     14        1           0.000004992    0.000004294    0.000000736
     15        1          -0.000004988    0.000002745   -0.000004991
     16        1          -0.000000877    0.000001391    0.000001122
     17        1           0.000001996    0.000000374   -0.000003987
     18        1          -0.000004236   -0.000002051   -0.000001834
     19        1           0.000004618   -0.000002138   -0.000003234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012239 RMS     0.000003964
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.923719D+02 -0.426696D+01 -0.185447D+01
      2  -0.426696D+01  0.803223D+02  0.839219D+00
      3  -0.185447D+01  0.839219D+00  0.730617D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.902481D+00 -0.156654D+01 -0.644820D+00
      2   0.372266D+01  0.889410D+00  0.353606D+02
      3  -0.140644D+02 -0.190395D+02 -0.200511D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.343514D+02  0.140273D+02  0.464637D+01
      2  -0.204107D+02 -0.736276D+01 -0.874275D+00
      3  -0.139407D+02 -0.666450D+01 -0.377210D+01
      4   0.247011D+01  0.504576D+02  0.543081D+00
      5   0.756285D+01  0.590222D+00  0.813979D+02
      6  -0.309724D+00  0.454436D+01 -0.357746D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.749138D+01 -0.254184D+01 -0.419585D+00 -0.178988D+01 -0.136916D+01
      2  -0.254184D+01  0.322884D+00  0.139257D+00 -0.136916D+01  0.519553D+00
      3  -0.419585D+00  0.139257D+00 -0.710086D-01  0.190516D+00  0.970313D-01
                 6             7             8             9            10 
      1   0.190516D+00 -0.144275D+01  0.329864D-01  0.277806D+00 -0.341133D+01
      2   0.970313D-01  0.329864D-01 -0.499475D+00 -0.295703D+00  0.256602D+01
      3  -0.739501D+00  0.277806D+00 -0.295703D+00 -0.852619D+00 -0.133433D+01
                11            12            13            14            15 
      1   0.256602D+01 -0.133433D+01  0.319752D+01  0.539045D+00 -0.130077D-01
      2   0.559701D-01  0.479518D-01  0.539045D+00 -0.147715D+01 -0.332191D+00
      3   0.479518D-01 -0.896966D+00 -0.130077D-01 -0.332191D+00  0.223488D+01
                16            17            18            19            20 
      1  -0.879933D+00  0.671964D+00 -0.713547D+00  0.198928D+01 -0.198318D+01
      2   0.671964D+00 -0.110346D+01  0.832651D+00 -0.198318D+01  0.310022D+01
      3  -0.713547D+00  0.832651D+00  0.743421D+01  0.364283D+01  0.136986D+00
                21            22            23            24            25 
      1   0.364283D+01 -0.232259D+01  0.275610D+01 -0.194264D+00  0.392832D+01
      2   0.136986D+00  0.275610D+01  0.334378D+01  0.153378D+01 -0.414058D-01
      3  -0.722602D+00 -0.194264D+00  0.153378D+01 -0.211571D+01 -0.690797D+00
                26            27            28            29            30 
      1  -0.414058D-01 -0.690797D+00  0.242628D+01  0.401683D+00 -0.120976D+01
      2   0.111524D+01 -0.192573D+01  0.401683D+00 -0.295950D+01 -0.144536D+00
      3  -0.192573D+01 -0.691604D+01 -0.120976D+01 -0.144536D+00 -0.252280D+01
                31            32            33            34            35 
      1  -0.558484D-01 -0.276380D+01  0.466212D+00 -0.110490D+01  0.273952D+00
      2  -0.276380D+01 -0.117096D+01 -0.141761D+01  0.273952D+00 -0.136262D+01
      3   0.466212D+00 -0.141761D+01  0.242147D+01 -0.172337D+01  0.389418D+01
                36            37            38            39            40 
      1  -0.172337D+01 -0.404860D+01 -0.225273D+01  0.326208D+00 -0.187798D+01
      2   0.389418D+01 -0.225273D+01 -0.756881D+00  0.316987D+00 -0.373037D+00
      3   0.393132D+01  0.326208D+00  0.316987D+00  0.730232D+00 -0.173546D+00
                41            42            43            44            45 
      1  -0.373037D+00 -0.173546D+00  0.680585D+00  0.212520D+00 -0.545795D+00
      2  -0.549015D+01  0.473704D+00  0.212520D+00  0.638354D+00 -0.149308D+01
      3   0.473704D+00 -0.861087D+00 -0.545795D+00 -0.149308D+01  0.639733D+00
                46            47            48            49            50 
      1  -0.171106D+02  0.259084D+01  0.907167D+00  0.200908D+01 -0.294238D+01
      2   0.259084D+01 -0.326511D+01 -0.177257D+00 -0.294238D+01  0.235732D+01
      3   0.907167D+00 -0.177257D+00 -0.184736D+01 -0.136736D+00  0.329408D+00
                51            52            53            54            55 
      1  -0.136736D+00  0.202843D+01 -0.215779D+00 -0.361794D+01  0.398066D+01
      2   0.329408D+00 -0.215779D+00  0.635017D+00  0.779709D+00 -0.356965D+00
      3   0.842951D+00 -0.361794D+01  0.779709D+00  0.124427D+01  0.813084D-01
                56            57            58            59            60 
      1  -0.356965D+00  0.813084D-01 -0.266384D+00 -0.308005D-01  0.300841D+00
      2   0.350165D+01  0.226120D+00 -0.308005D-01  0.633647D+01 -0.356043D+00
      3   0.226120D+00  0.111962D+01  0.300841D+00 -0.356043D+00 -0.528749D+00
                61            62            63            64            65 
      1  -0.681536D+00 -0.108243D-02  0.394813D+00  0.852105D+00 -0.367529D+00
      2  -0.108243D-02  0.120527D+00  0.100930D+01 -0.367529D+00 -0.102349D+00
      3   0.394813D+00  0.100930D+01 -0.332598D+00 -0.104381D+01  0.489389D-01
                66            67            68            69            70 
      1  -0.104381D+01 -0.510378D+00 -0.198761D+00  0.217159D-01 -0.180367D+01
      2   0.489389D-01 -0.198761D+00  0.447371D+00 -0.122133D+01  0.188769D-01
      3   0.411490D+00  0.217159D-01 -0.122133D+01 -0.222295D+00  0.915868D-01
                71            72            73            74            75 
      1   0.188769D-01  0.915868D-01  0.174286D+01 -0.169542D+01  0.115395D+01
      2  -0.168081D+01  0.382731D+00 -0.169542D+01  0.239574D+01 -0.750585D+00
      3   0.382731D+00 -0.937919D+01  0.115395D+01 -0.750585D+00  0.110652D+01
                76            77            78            79            80 
      1  -0.147393D+01  0.192404D+01 -0.551215D+00  0.161311D+01 -0.102185D+01
      2   0.192404D+01 -0.536822D+01  0.188193D+01 -0.102185D+01  0.345577D+01
      3  -0.551215D+00  0.188193D+01 -0.179155D+01  0.124369D+01 -0.246602D+01
                81            82            83            84            85 
      1   0.124369D+01  0.683496D+00 -0.803240D+00 -0.127982D+01 -0.550966D+00
      2  -0.246602D+01 -0.803240D+00  0.827136D+00  0.522033D+00  0.963243D+00
      3   0.194609D+01 -0.127982D+01  0.522033D+00  0.106519D+01  0.243553D+00
                86            87            88            89            90 
      1   0.963243D+00  0.243553D+00 -0.215217D+01  0.500091D+00  0.143828D+01
      2  -0.243568D+01 -0.169965D+01  0.500091D+00 -0.302875D+01 -0.358721D+01
      3  -0.169965D+01 -0.185078D+01  0.143828D+01 -0.358721D+01 -0.641073D+01
                91            92            93            94            95 
      1  -0.482511D+01  0.215566D+01  0.449381D+00  0.150118D+01 -0.138116D+01
      2   0.215566D+01 -0.421006D+01 -0.289437D+00 -0.138116D+01  0.162261D+01
      3   0.449381D+00 -0.289437D+00 -0.115750D+01 -0.186384D+00  0.139092D+00
                96            97            98            99           100 
      1  -0.186384D+00  0.911797D+00 -0.333206D+00 -0.599685D+00  0.743420D-01
      2   0.139092D+00 -0.333206D+00  0.817177D+00  0.698657D+00  0.264802D+01
      3   0.529180D+00 -0.599685D+00  0.698657D+00  0.441335D+00 -0.439802D+01
               101           102           103           104           105 
      1   0.264802D+01 -0.439802D+01  0.293244D+01 -0.259930D+01  0.450440D+00
      2  -0.201452D+01  0.406247D+00 -0.259930D+01 -0.431145D+01 -0.247272D+01
      3   0.406247D+00  0.144509D+01  0.450440D+00 -0.247272D+01  0.207928D+01
               106           107           108           109           110 
      1  -0.385364D+01  0.237999D+00  0.127214D+01 -0.913288D+00  0.258141D+01
      2   0.237999D+00 -0.117572D+01  0.178268D+01  0.258141D+01 -0.293579D+01
      3   0.127214D+01  0.178268D+01  0.413429D+01 -0.330637D+01  0.253367D+00
               111           112           113           114           115 
      1  -0.330637D+01  0.287217D+01 -0.357258D+01  0.209695D+00 -0.356147D+01
      2   0.253367D+00 -0.357258D+01 -0.428519D+01 -0.952083D+00  0.264147D+00
      3   0.160167D+01  0.209695D+00 -0.952083D+00  0.183710D+01  0.685245D+00
               116           117           118           119           120 
      1   0.264147D+00  0.685245D+00 -0.383824D+01 -0.833293D+00  0.236168D+01
      2  -0.110549D+01  0.158467D+01 -0.833293D+00 -0.867938D+00  0.251599D+00
      3   0.158467D+01  0.661087D+01  0.236168D+01  0.251599D+00 -0.371812D+01
               121           122           123           124           125 
      1  -0.983922D+00 -0.484170D+00  0.358706D+00  0.208244D+01  0.220078D+00
      2  -0.484170D+00 -0.114312D+00  0.966156D+00  0.220078D+00  0.821314D+00
      3   0.358706D+00  0.966156D+00 -0.120352D+01 -0.198831D+01 -0.601829D+00
               126           127           128           129           130 
      1  -0.198831D+01  0.756295D+00  0.877626D+00  0.801375D+00  0.157271D+01
      2  -0.601829D+00  0.877626D+00  0.118069D+01  0.367193D+00  0.166694D+01
      3   0.351113D+01  0.801375D+00  0.367193D+00  0.237271D+00  0.835781D+00
               131           132           133           134           135 
      1   0.166694D+01  0.835781D+00  0.545024D+00  0.277116D+00  0.215378D+00
      2   0.651741D+01  0.230836D+01  0.277116D+00  0.125438D+01  0.106643D+01
      3   0.230836D+01  0.252844D+01  0.215378D+00  0.106643D+01  0.768988D+00
               136           137           138           139           140 
      1   0.480041D+01 -0.174445D+01  0.285614D+01 -0.255823D+01  0.177146D+01
      2  -0.174445D+01  0.176096D+01 -0.894524D+00  0.177146D+01 -0.148872D+01
      3   0.285614D+01 -0.894524D+00  0.259459D+01 -0.136210D+01  0.141893D+01
               141           142           143           144           145 
      1  -0.136210D+01  0.191749D+01 -0.655212D+00  0.160814D+01 -0.169611D+00
      2   0.141893D+01 -0.655212D+00  0.844356D+00 -0.103837D+01 -0.367698D+00
      3  -0.218864D+01  0.160814D+01 -0.103837D+01  0.205450D+01 -0.553207D+00
               146           147           148           149           150 
      1  -0.367698D+00 -0.553207D+00 -0.704048D+00  0.485928D+00  0.166793D+00
      2   0.549599D-01 -0.480067D-01  0.485928D+00 -0.237330D-01 -0.966791D+00
      3  -0.480067D-01 -0.617114D+00  0.166793D+00 -0.966791D+00 -0.118759D+01
               151           152           153           154           155 
      1  -0.170715D+01 -0.564527D-01  0.133245D+01  0.742253D+01 -0.229358D+01
      2  -0.564527D-01 -0.116768D+01 -0.624320D+00 -0.229358D+01  0.202215D+01
      3   0.133245D+01 -0.624320D+00 -0.875628D+01  0.782145D+00 -0.325442D+00
               156           157           158           159           160 
      1   0.782145D+00 -0.401223D+01  0.242165D+01 -0.208266D+00  0.258019D+01
      2  -0.325442D+00  0.242165D+01 -0.166817D+01  0.405781D+00 -0.560478D+00
      3   0.101751D+01 -0.208266D+00  0.405781D+00 -0.108312D+01  0.949326D+00
               161           162           163           164           165 
      1  -0.560478D+00  0.949326D+00  0.209718D+01  0.141866D+01  0.182718D+00
      2   0.841675D+00 -0.676322D+00  0.141866D+01  0.188979D+01 -0.868915D-01
      3  -0.676322D+00  0.319693D+00  0.182718D+00 -0.868915D-01  0.224296D+00
               166           167           168           169           170 
      1   0.302130D+01  0.318673D+01 -0.418736D+00  0.899843D+00  0.175737D+00
      2   0.318673D+01  0.668922D+01 -0.135758D+00  0.175737D+00  0.580197D+00
      3  -0.418736D+00 -0.135758D+00  0.129923D+01  0.370578D+00  0.677581D+00
               171 
      1   0.370578D+00
      2   0.677581D+00
      3  -0.388952D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.939989D+00  0.397937D+01 -0.881831D+00  0.289227D+01  0.172001D+01
      2  -0.188732D+01 -0.312374D+01 -0.999503D+01 -0.233262D+01 -0.765531D+00
      3  -0.186050D+01  0.812716D+01  0.111466D+01  0.190493D+00 -0.304482D+01
                 6             7             8             9            10 
      1   0.441530D+01  0.857031D+00  0.124780D+02 -0.186797D+01  0.263504D+00
      2   0.287350D+01 -0.136864D+02 -0.317952D+01  0.368051D+01 -0.348928D+01
      3  -0.155481D+01  0.285929D+01 -0.560250D+01  0.309539D+00  0.139017D+01
                11            12            13            14            15 
      1  -0.109242D+01 -0.250427D+01 -0.198077D+01  0.876838D+00 -0.706601D+00
      2   0.223498D+01  0.118787D+01  0.398607D+01  0.458002D+00  0.350940D+01
      3  -0.239332D+01 -0.691216D+00  0.685950D+01 -0.836393D+00  0.113776D+01
                16            17            18            19            20 
      1  -0.120666D+01  0.222242D+01 -0.140461D+01 -0.587729D+00 -0.170391D+00
      2  -0.252673D+01  0.694907D+00 -0.449602D+01  0.829261D+01 -0.181818D+00
      3  -0.674601D+00  0.226193D+01 -0.173357D+01  0.283113D+01 -0.845114D+01
                21            22            23            24            25 
      1   0.694480D+00 -0.272626D+00  0.505175D+00 -0.585519D+01  0.436168D+00
      2   0.381760D+01 -0.815979D+00  0.187734D+01 -0.273239D+01 -0.510405D+01
      3  -0.961319D-02 -0.216661D+00 -0.587545D+01 -0.277276D+01  0.633456D+00
                26            27            28            29            30 
      1   0.239698D+01 -0.102843D+01 -0.112334D+00  0.203832D+01 -0.457313D+01
      2  -0.244987D+01 -0.487569D+01 -0.170435D+01  0.609200D+00 -0.259540D+01
      3  -0.233615D+01  0.194219D+01 -0.105310D+02  0.174130D+01  0.885369D+00
                31            32            33            34            35 
      1   0.304621D+01 -0.357046D+01  0.557002D+01 -0.291162D+01  0.122652D+02
      2  -0.270459D+00 -0.249310D+01  0.193581D+01 -0.634381D+01  0.489031D+01
      3   0.426019D+01  0.594088D+01  0.166481D+01  0.286951D+00  0.134349D+01
                36            37            38            39            40 
      1   0.643343D+01 -0.327762D+00 -0.157513D+01 -0.297716D+00  0.115318D+01
      2   0.286102D+01 -0.358597D+00  0.128756D+01  0.625274D+01  0.672718D+00
      3   0.122293D+01  0.100576D+02 -0.274411D+01 -0.108939D+01  0.114069D+02
                41            42            43            44            45 
      1   0.164401D+01 -0.659899D+01 -0.445712D+01 -0.184229D+01  0.182786D+01
      2  -0.327787D+00 -0.622115D+00 -0.311487D+01  0.376882D+01 -0.144625D+01
      3  -0.494321D+01 -0.113763D+00 -0.330908D+01  0.607632D+00 -0.307089D+00
                46            47            48            49            50 
      1   0.136810D+01 -0.107961D+01  0.141245D+01 -0.953953D+00 -0.300367D+00
      2  -0.305705D+01  0.326881D+00  0.142753D+02  0.111479D+01 -0.624870D+00
      3   0.884217D+01 -0.194426D+02 -0.607500D+00 -0.222123D+01  0.905171D+01
                51            52            53            54            55 
      1  -0.349726D+01 -0.179890D+01  0.420661D+00  0.629916D+00  0.129505D+01
      2  -0.227890D+01  0.491049D+01  0.738071D+00 -0.440673D+01 -0.374627D+00
      3   0.763308D+00 -0.556815D+00  0.435788D+01  0.275453D+01  0.130515D+02
                56            57            58            59            60 
      1  -0.122853D+01 -0.193113D+01  0.132675D+00 -0.339151D+01 -0.638739D+01
      2   0.927569D+00  0.107445D+01 -0.607692D+00 -0.702554D+00 -0.118973D+01
      3  -0.522043D+00 -0.981872D+00  0.575959D+01  0.397860D+01  0.132333D+00
                61            62            63            64            65 
      1  -0.816676D+00  0.181579D+01 -0.191674D+01  0.228835D+00 -0.691866D-01
      2  -0.355867D+01  0.420364D+00 -0.110161D+00  0.207115D+01 -0.297820D+00
      3  -0.128972D+01  0.116656D+00  0.182344D+01  0.605276D+00 -0.100313D+01
                66            67            68            69            70 
      1   0.282835D+00 -0.354962D+00  0.523764D+00  0.445657D+00 -0.503108D+00
      2  -0.980478D-01 -0.988692D+00  0.407952D+00 -0.107772D+00 -0.471320D+01
      3  -0.508018D+00  0.276023D+00  0.131499D+00 -0.374495D+00 -0.896409D+00
                71            72            73            74            75 
      1   0.393222D+01  0.446243D+01  0.273557D+01 -0.171415D+01  0.299543D+01
      2   0.321805D+00  0.331483D+01  0.815050D+00 -0.783434D+00  0.208833D+01
      3  -0.759149D+00  0.658065D+00 -0.278786D+01 -0.742080D-01 -0.180085D+01
                76            77            78            79            80 
      1  -0.188625D+01  0.434152D+01 -0.563255D+01  0.295641D+01 -0.369676D+01
      2   0.254591D+00  0.179052D+01 -0.206795D+01 -0.899197D-01 -0.222112D+01
      3   0.432079D+01 -0.679656D+00 -0.117319D+00 -0.389152D+01 -0.111945D+01
                81            82            83            84            85 
      1   0.557282D+01 -0.236734D+01  0.656321D-01  0.207628D+01 -0.182555D+00
      2   0.212754D+01  0.100130D+00 -0.160250D+00  0.746888D+00 -0.646813D+00
      3  -0.978223D+00 -0.134619D+01 -0.466398D+00  0.226889D+01  0.150832D+01
                86            87            88            89            90 
      1  -0.157843D+01 -0.429565D+01  0.320584D+01 -0.263452D+01 -0.115650D+02
      2  -0.746178D+00 -0.147521D+01 -0.234125D+01 -0.247730D+01 -0.441739D+01
      3  -0.107615D+01  0.400311D+00  0.539487D+01  0.112810D+01 -0.141539D+01
                91            92            93            94            95 
      1  -0.231416D+01  0.142798D+01  0.292396D+01  0.292974D+00 -0.960469D+00
      2  -0.260131D+00  0.117533D+00  0.200251D+01  0.110988D+00  0.134963D+00
      3  -0.136567D+02 -0.145391D+01  0.144973D+01  0.125977D+01 -0.320376D+01
                96            97            98            99           100 
      1  -0.135570D+01  0.960448D+00 -0.605397D+00 -0.125521D+01  0.594824D+01
      2  -0.718537D+00 -0.407073D+00 -0.809742D+00 -0.391921D+00 -0.599009D+01
      3  -0.986802D-01  0.221211D+01 -0.289940D+00 -0.575550D+00 -0.329280D+01
               101           102           103           104           105 
      1  -0.415328D+01 -0.219075D+00 -0.516934D+01 -0.866607D+01 -0.857389D+01
      2  -0.426988D+01  0.141705D+02 -0.448483D+01  0.129312D+01  0.193816D+01
      3   0.180669D+01 -0.216788D+01  0.659551D+01  0.525528D+01  0.314516D+01
               106           107           108           109           110 
      1   0.514974D+00 -0.217045D+01  0.319760D+01 -0.128880D+01  0.294774D+01
      2   0.692068D+01  0.174013D+01  0.188847D+01 -0.106866D+02  0.268686D+01
      3  -0.148781D+01  0.221084D+01 -0.199436D+01 -0.735129D+01  0.694700D+01
               111           112           113           114           115 
      1  -0.621825D+00  0.402084D+01  0.450040D+01 -0.159660D+01  0.241032D+00
      2   0.184558D+01  0.306172D+01 -0.562038D+01  0.470214D+01 -0.456829D+01
      3  -0.135600D+01  0.152922D+02  0.111817D+02  0.164014D+01 -0.194255D+01
               116           117           118           119           120 
      1   0.203533D+01 -0.344948D+01 -0.222591D+01 -0.295804D+01  0.867748D+00
      2   0.386466D+01  0.182763D+02  0.128137D+02  0.238258D+01 -0.625505D+01
      3   0.303146D+01 -0.410633D+01 -0.136286D+00 -0.891133D+00  0.317841D+00
               121           122           123           124           125 
      1  -0.123775D+01 -0.713478D+00  0.784746D+00  0.109253D+01  0.309596D+01
      2   0.294949D+01  0.202544D+01 -0.158669D+01 -0.816640D+01 -0.117968D+01
      3   0.117819D+01 -0.153887D+00 -0.893294D+00 -0.385572D-04  0.160477D-02
               126           127           128           129           130 
      1  -0.172068D+01  0.132575D+01  0.205114D+01  0.263043D+00  0.229813D+01
      2   0.668840D+01  0.233314D+00 -0.799442D+00  0.142267D+00 -0.234072D+01
      3   0.523528D-01 -0.690500D+00 -0.193028D+01 -0.451245D+00  0.104747D+01
               131           132           133           134           135 
      1   0.126808D+02  0.175262D+00  0.759631D+00  0.291758D+01  0.157443D+01
      2   0.621463D+00  0.271433D+01 -0.149879D+01  0.831792D+00  0.726618D+00
      3  -0.918546D+01 -0.259108D+01 -0.106755D+00 -0.164902D+01 -0.169469D+01
               136           137           138           139           140 
      1  -0.392127D+01  0.460346D+01 -0.114049D+01  0.322711D+01 -0.362260D+01
      2  -0.523470D+01  0.215449D+01  0.119409D+01  0.349065D+01 -0.119137D+01
      3   0.231916D+01 -0.458662D+01  0.159652D+01 -0.139204D+01  0.317040D+01
               141           142           143           144           145 
      1   0.117300D+01 -0.165908D+01  0.302984D+01 -0.196606D+01  0.526191D+00
      2  -0.148360D+01 -0.304826D+01 -0.750328D-01  0.511608D+00 -0.234515D+01
      3  -0.191619D+01  0.909962D+00 -0.185612D+01  0.176491D+01  0.893652D+00
               146           147           148           149           150 
      1   0.218940D+00  0.188618D-01 -0.253320D+00  0.644595D+00  0.226032D+00
      2  -0.441214D+00 -0.680790D+00 -0.857155D+00 -0.167905D+01 -0.281339D+01
      3  -0.895090D+00 -0.536073D-01 -0.280792D+00  0.236734D+00  0.209894D+01
               151           152           153           154           155 
      1  -0.409508D-01  0.428322D+01  0.263367D+01  0.182467D+01 -0.145693D+01
      2  -0.233208D+01 -0.193579D+01 -0.209010D+02  0.806242D+01 -0.314176D+01
      3   0.140144D+00  0.313445D+01  0.186323D+01  0.671306D+01 -0.814873D+01
               156           157           158           159           160 
      1   0.103369D+01 -0.159652D+01  0.978787D+00 -0.166124D+01  0.288804D+00
      2   0.574548D+01 -0.359915D+01  0.315756D+01 -0.444427D+01  0.300244D+01
      3   0.121392D+01 -0.516258D+01  0.580786D+01 -0.138421D+01  0.150734D+01
               161           162           163           164           165 
      1   0.213809D+00  0.894539D+00 -0.143062D+01 -0.183491D+01 -0.399318D+00
      2  -0.228774D+01  0.233975D+01  0.207144D+01  0.892802D+00  0.161403D+01
      3  -0.300202D+01  0.194277D+01 -0.291785D+01 -0.578316D+01  0.451469D+00
               166           167           168           169           170 
      1  -0.224726D+01 -0.603361D+01 -0.316222D+01 -0.514645D-01  0.611364D-02
      2   0.130308D+01  0.238445D+01  0.384723D+01  0.477537D+00  0.147906D+01
      3  -0.449291D+01 -0.178900D+02 -0.930901D-01  0.211166D+00 -0.157969D+01
               171 
      1  -0.633751D+00
      2  -0.442906D+00
      3  -0.152875D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.510811D+02  0.945788D+00  0.907748D+00  0.133565D+02  0.913722D+01
      2   0.289411D+02  0.345959D+01 -0.404689D+01 -0.902655D+01 -0.116358D+02
      3   0.221400D+02 -0.440538D+01  0.313915D+01 -0.432995D+01  0.249863D+01
      4   0.101711D+02 -0.122742D+02 -0.102182D+00 -0.126049D+00  0.693458D+01
      5   0.275896D+01  0.524629D+00 -0.146292D+02 -0.105054D+01  0.490203D+00
      6  -0.130203D+00 -0.522627D+00  0.402198D+01 -0.113023D+00 -0.160193D+00
                 6             7             8             9            10 
      1  -0.246473D+01  0.921135D+01 -0.217300D+01 -0.674520D+01 -0.208849D+01
      2   0.658514D+00 -0.672970D+01  0.107811D+00 -0.371780D+01  0.564231D+01
      3   0.180622D+01 -0.248166D+01  0.206519D+01  0.104630D+02 -0.355382D+01
      4   0.682843D+00 -0.755756D+00  0.322915D+01  0.126158D+01 -0.234362D+01
      5   0.889754D+01  0.419297D+01 -0.191034D-01  0.670686D+01 -0.179971D+01
      6  -0.503744D+01  0.704957D+00  0.223848D+01  0.125041D+01 -0.397158D+00
                11            12            13            14            15 
      1  -0.214734D+01 -0.827773D+00  0.730485D+01  0.555666D+00  0.210992D+01
      2   0.374351D+01  0.436427D-02 -0.350829D+01 -0.650481D+01  0.536595D+01
      3  -0.159618D+01  0.823409D+00 -0.379656D+01  0.594914D+01 -0.747587D+01
      4  -0.426233D+00 -0.105668D+00 -0.427879D+01  0.154091D+01 -0.119976D+01
      5  -0.178464D+01  0.504747D+00 -0.227881D+01 -0.104613D+00  0.420831D+01
      6  -0.157231D+01  0.229146D+01 -0.973283D+00  0.577585D+00 -0.248031D+01
                16            17            18            19            20 
      1  -0.698526D+01  0.774387D+00  0.141051D+02 -0.371713D+01 -0.269739D+01
      2   0.244162D+01 -0.359696D+01  0.151047D+02 -0.318526D+01 -0.209128D+01
      3   0.454364D+01  0.282257D+01 -0.292097D+02  0.690239D+01  0.478867D+01
      4  -0.141736D+01 -0.563886D+00 -0.320404D+01 -0.431206D+01  0.484467D+01
      5   0.467284D+00 -0.128598D+01 -0.145055D+01  0.150266D+02  0.173991D+01
      6  -0.293939D+01  0.118267D+01  0.700902D+01  0.569738D+00  0.260897D+01
                21            22            23            24            25 
      1   0.105937D+02 -0.872178D+01  0.108943D+02  0.180506D+01  0.149827D+02
      2  -0.482192D+01  0.511246D+01 -0.101169D+02 -0.169216D+00 -0.608064D+01
      3  -0.577176D+01  0.360932D+01 -0.777339D+00 -0.163585D+01 -0.890203D+01
      4   0.453339D+00  0.904986D+01  0.707381D+01  0.187991D+01  0.567193D+00
      5  -0.299218D+01  0.122135D+01  0.176238D+01 -0.543857D+01 -0.340100D+01
      6  -0.278153D+01  0.154696D+01 -0.296483D+01  0.392169D+01 -0.291379D+01
                26            27            28            29            30 
      1   0.717549D+00 -0.515868D+01 -0.162631D+01 -0.840631D+01 -0.311229D+01
      2   0.447925D+00  0.560859D+01  0.144210D+01  0.133409D+02 -0.120903D+01
      3  -0.116547D+01 -0.449906D+00  0.184212D+00 -0.493455D+01  0.432132D+01
      4   0.149707D+01 -0.569285D+01 -0.383867D+01 -0.141002D+02  0.248039D+01
      5  -0.513620D+01 -0.137442D+02 -0.428177D+01  0.107233D+01 -0.698527D+01
      6   0.295227D+01 -0.158808D+01  0.117161D+01 -0.114635D+01  0.102323D+02
                31            32            33            34            35 
      1  -0.514667D+01 -0.266596D+01  0.327855D+00 -0.281479D+01  0.114787D+01
      2   0.820283D+01  0.317216D+01  0.688432D+01 -0.227700D+01  0.791776D+01
      3  -0.305616D+01 -0.506200D+00 -0.721217D+01  0.509179D+01 -0.906563D+01
      4  -0.722891D+01  0.525973D+01 -0.307597D+01  0.256202D+01 -0.273708D+01
      5   0.570566D+00 -0.180365D+01  0.376803D+01 -0.447192D+01  0.864585D+01
      6  -0.311636D+01  0.857430D+01 -0.126330D+02  0.949360D+01 -0.178883D+02
                36            37            38            39            40 
      1   0.121072D+02  0.701341D+01  0.374966D+01  0.101809D+01 -0.290828D+01
      2  -0.102186D+02  0.346962D+00 -0.132976D+01  0.916519D+00  0.388614D+01
      3  -0.188858D+01 -0.736037D+01 -0.241990D+01 -0.193461D+01 -0.977858D+00
      4   0.116792D+02  0.110670D+02  0.185176D+02 -0.947837D+00  0.111923D+02
      5   0.766771D+01  0.136902D+01  0.420129D+00  0.921416D+01  0.564094D+00
      6  -0.132642D+02  0.436563D+00 -0.120666D+01 -0.145464D+01  0.433224D+00
                41            42            43            44            45 
      1  -0.162663D+02  0.141458D+01 -0.347168D+00  0.610143D+00 -0.456110D+01
      2   0.264924D+02 -0.815879D+00  0.492967D+00 -0.220662D+00  0.321057D+01
      3  -0.102261D+02 -0.598701D+00 -0.145799D+00 -0.389481D+00  0.135053D+01
      4   0.916798D+01 -0.939539D+00 -0.121228D+01 -0.149874D+01  0.549561D+01
      5   0.920765D+00 -0.236166D+01  0.342283D+01  0.395410D+01 -0.183695D+01
      6  -0.429328D+00  0.104096D+02  0.176979D+01  0.907353D+01 -0.204454D+01
                46            47            48            49            50 
      1   0.992775D+02 -0.963470D+01 -0.360511D+01 -0.114833D+02  0.809691D+01
      2  -0.565299D+02  0.510887D+01  0.320400D+01  0.679078D+01 -0.206465D+00
      3  -0.427477D+02  0.452583D+01  0.401112D+00  0.469248D+01 -0.789045D+01
      4  -0.795631D+01  0.224513D+02  0.584490D+00  0.209300D+02 -0.854208D+01
      5  -0.248173D+01  0.246956D+00  0.238749D+02  0.107447D+01 -0.120131D+01
      6   0.201928D+00  0.683349D+00 -0.236429D+01 -0.782618D+00 -0.309587D+00
                51            52            53            54            55 
      1   0.863633D+00 -0.861246D+01  0.141040D+01  0.131117D+02 -0.141994D+01
      2  -0.389370D+00  0.623674D+01 -0.107455D+00 -0.115159D+02 -0.901531D+00
      3  -0.474264D+00  0.237572D+01 -0.130295D+01 -0.159585D+01  0.232147D+01
      4  -0.222276D+01  0.142169D+01 -0.329615D+01 -0.128361D+01  0.157570D+02
      5  -0.536486D+01  0.239787D+02 -0.363501D+01 -0.768852D+01  0.588820D+00
      6   0.505723D+01 -0.308018D+00  0.429392D+01 -0.701891D-02 -0.167140D+01
                56            57            58            59            60 
      1  -0.343088D+01  0.764356D+00 -0.261538D+01 -0.241493D+02 -0.174547D+01
      2   0.772826D+01  0.846970D+00  0.190366D+01  0.381974D+02 -0.416839D+01
      3  -0.429737D+01 -0.161133D+01  0.711726D+00 -0.140481D+02  0.591386D+01
      4  -0.451278D+01 -0.162887D+01  0.455569D+01 -0.345448D+01  0.131741D+01
      5  -0.993733D+00  0.274821D+01  0.663382D+00  0.231501D+00 -0.245550D+01
      6   0.578233D+00  0.181560D+01  0.130877D+01 -0.246291D+01  0.101901D+02
                61            62            63            64            65 
      1   0.272454D+00 -0.808193D+00 -0.662819D+01 -0.465400D+00  0.942870D+00
      2   0.476562D+00  0.299721D+01  0.109146D+01 -0.400809D+01 -0.442960D+00
      3  -0.749016D+00 -0.218902D+01  0.553673D+01  0.447349D+01 -0.499910D+00
      4  -0.136321D+01  0.136183D+01  0.642894D+00  0.113723D+01  0.202968D+01
      5   0.263799D+01 -0.102377D+01  0.705955D-01  0.389952D+00 -0.256573D+00
      6   0.111254D+01  0.850507D+01  0.295218D+00 -0.140119D+01  0.139644D+00
                66            67            68            69            70 
      1   0.627480D+00 -0.849909D-01 -0.373727D+01  0.653116D+00  0.158014D+01
      2   0.817025D-01  0.492944D+00  0.531825D+00 -0.297704D+01  0.321059D+00
      3  -0.709183D+00 -0.407953D+00  0.320545D+01  0.232392D+01 -0.190120D+01
      4  -0.150362D+01  0.175880D+01  0.171452D-02  0.533675D+00 -0.157844D+01
      5   0.672884D+01  0.356938D+00  0.307692D+00 -0.586554D-01  0.591480D+01
      6  -0.300464D-01  0.119254D+00 -0.162988D+01  0.648326D+01  0.710025D+00
                71            72            73            74            75 
      1   0.321043D+01 -0.209639D+02  0.907307D+00  0.290901D+01 -0.399584D+00
      2  -0.282437D+01 -0.200793D+02  0.425273D+01 -0.917074D+01  0.197642D+01
      3  -0.386063D+00  0.410431D+02 -0.516004D+01  0.626173D+01 -0.157684D+01
      4   0.157211D+01  0.162003D+01 -0.938939D+01  0.130933D+02 -0.563866D+01
      5   0.227264D+00  0.413607D+01  0.342397D+01 -0.311075D+01  0.400076D+01
      6   0.627482D+01 -0.113447D+02 -0.570550D+01  0.452688D+01 -0.499518D+01
                76            77            78            79            80 
      1   0.365475D+01 -0.145355D+02  0.494508D+01 -0.411700D+00  0.877619D+01
      2  -0.801190D+01  0.272900D+02 -0.898541D+01  0.246235D+01 -0.150675D+02
      3   0.435715D+01 -0.127545D+02  0.404033D+01 -0.205065D+01  0.629127D+01
      4   0.974306D+01 -0.139028D+02  0.491000D+01 -0.759791D+01  0.864646D+01
      5  -0.230704D+01  0.361164D+01 -0.348096D+01  0.444607D+01 -0.502727D+01
      6   0.339186D+01 -0.120707D+02  0.103347D+02 -0.590938D+01  0.142231D+02
                81            82            83            84            85 
      1  -0.773564D+01 -0.614671D+00  0.114844D+01  0.710625D-01  0.225564D+01
      2   0.717840D+01  0.572877D-01 -0.253820D+01  0.375918D+00 -0.340014D+01
      3   0.557237D+00  0.557383D+00  0.138976D+01 -0.446981D+00  0.114449D+01
      4  -0.697077D+01 -0.346615D+01  0.660205D+01  0.502108D+01  0.467534D+01
      5   0.427496D+01 -0.315314D+01  0.291880D+01  0.644468D+01  0.158146D+01
      6  -0.104173D+02  0.546209D+01 -0.231687D+01 -0.434989D+01 -0.183829D+01
                86            87            88            89            90 
      1  -0.912311D+01 -0.662015D+01  0.133532D+01 -0.115392D+02 -0.168093D+02
      2   0.106132D+02  0.587007D+01  0.108444D+01  0.899379D+01  0.316649D+01
      3  -0.149004D+01  0.750080D+00 -0.241976D+01  0.254544D+01  0.136428D+02
      4  -0.539822D+01 -0.238458D+01  0.639685D+01 -0.564477D+01 -0.748905D+01
      5  -0.273990D+01 -0.286722D+01  0.742078D+01 -0.602974D+01 -0.102180D+02
      6   0.100693D+02  0.123152D+02 -0.643002D+01  0.190658D+02  0.265575D+02
                91            92            93            94            95 
      1   0.702778D+01  0.316171D+01 -0.848343D+00 -0.519433D+00 -0.589849D+00
      2   0.276218D+01 -0.114426D+02 -0.846928D+00 -0.363609D+01  0.609522D+01
      3  -0.978995D+01  0.828090D+01  0.169527D+01  0.415553D+01 -0.550537D+01
      4  -0.217017D+02  0.172208D+02  0.247948D+01  0.842102D+01 -0.710593D+01
      5  -0.642926D+00  0.543131D+00  0.235950D+01  0.171412D+00 -0.472492D+00
      6   0.209615D+01 -0.474663D+00 -0.415697D+01 -0.670338D+00  0.459680D+00
                96            97            98            99           100 
      1   0.584882D-01 -0.271929D+00 -0.106807D+01 -0.764885D+00  0.497299D+01
      2   0.330814D+00 -0.800087D+00  0.200330D+01  0.368495D+00  0.823887D+01
      3  -0.389302D+00  0.107202D+01 -0.935231D+00  0.396390D+00 -0.132119D+02
      4  -0.859528D+00  0.319216D+01 -0.234346D+01 -0.324538D+01  0.845436D+01
      5  -0.903036D+00  0.319010D+01 -0.215241D+01 -0.779528D+00 -0.104592D+02
      6   0.217596D+01 -0.286022D+01  0.371551D+01  0.182716D+01  0.931101D+01
               101           102           103           104           105 
      1   0.873161D+01 -0.148938D+02  0.113339D+02 -0.164832D+01  0.151065D+01
      2  -0.621903D+01  0.306855D+01 -0.936831D+01 -0.142873D+00 -0.784120D+01
      3  -0.251258D+01  0.118252D+02 -0.196555D+01  0.179119D+01  0.633055D+01
      4  -0.541810D+01  0.316831D+01 -0.835290D+01 -0.113709D+02 -0.779757D+01
      5   0.954799D+01 -0.113182D+02  0.103484D+02 -0.124103D+02  0.632262D+01
      6  -0.741912D+01  0.205115D+01 -0.975581D+01 -0.128014D+02 -0.693295D+01
               106           107           108           109           110 
      1  -0.134135D+02 -0.112559D+00 -0.423581D+01 -0.966201D+01  0.165094D+02
      2   0.225381D+01 -0.642019D+01 -0.709156D+01 -0.375066D+00 -0.947124D+01
      3   0.111597D+02  0.653275D+01  0.113274D+02  0.100371D+02 -0.703819D+01
      4   0.201776D+01 -0.445940D+01  0.554900D+01  0.163800D+02 -0.158873D+02
      5  -0.105894D+02  0.522764D+01  0.134973D+02 -0.180697D+02 -0.913527D+00
      6   0.218776D+01 -0.539936D+01  0.735056D+01 -0.408487D+01  0.317851D+01
               111           112           113           114           115 
      1  -0.159077D+02  0.210617D+02 -0.151647D+02  0.422331D+01 -0.201141D+02
      2   0.945070D+01 -0.146564D+02  0.321589D+00  0.437013D+00  0.864804D+01
      3   0.645701D+01 -0.640522D+01  0.148432D+02 -0.466032D+01  0.114661D+02
      4   0.114261D+01 -0.222057D+02 -0.223470D+02 -0.393555D+01  0.247864D+01
      5   0.877963D+01 -0.652877D+00 -0.247192D+01  0.701217D+01  0.688512D+01
      6   0.370702D+00  0.444450D+01  0.495471D+01  0.173400D+01  0.100899D+01
               116           117           118           119           120 
      1   0.509911D+01  0.150509D+02 -0.746007D+01 -0.234202D+01  0.132897D+02
      2  -0.101353D+01  0.631576D+01 -0.287971D+01  0.518676D+00  0.532797D+01
      3  -0.408558D+01 -0.213666D+02  0.103398D+02  0.182334D+01 -0.186177D+02
      4  -0.621934D+01  0.804090D+01 -0.137871D+01  0.982920D+00  0.312939D+00
      5   0.677912D+01  0.231215D+02 -0.106333D+02 -0.260079D+01  0.633066D+01
      6   0.175844D+01 -0.240963D+01 -0.289776D+01 -0.417541D+01  0.151895D+01
               121           122           123           124           125 
      1  -0.323202D+01 -0.310865D+01  0.318478D+01  0.917325D+01  0.191208D+01
      2   0.129514D+01  0.592106D+00  0.194507D+01  0.275257D+01  0.138098D+01
      3   0.193688D+01  0.251655D+01 -0.512985D+01 -0.119258D+02 -0.329306D+01
      4   0.212667D+01  0.111577D+01  0.891351D+00  0.590366D+00  0.559879D+00
      5  -0.303143D+01 -0.207699D+00 -0.522634D+00  0.829629D+01  0.375115D+00
      6  -0.225843D+01 -0.114511D+01  0.561351D+01  0.133632D+01  0.499829D+01
               126           127           128           129           130 
      1  -0.137029D+02  0.152925D+01  0.125867D+01  0.174551D+01  0.225735D+01
      2  -0.748885D+01 -0.838519D+00  0.629612D+00 -0.884552D+00 -0.370835D-01
      3   0.211917D+02 -0.690732D+00 -0.188828D+01 -0.860955D+00 -0.222026D+01
      4  -0.933855D+00  0.388173D+01  0.754924D+01  0.170833D+01  0.955951D+01
      5  -0.492901D+01  0.434747D+01  0.323732D+01  0.504428D+01  0.642675D+01
      6  -0.246356D+01  0.232258D+01  0.463726D+01  0.167916D+01  0.652885D+01
               131           132           133           134           135 
      1  -0.842632D+01 -0.635164D+01  0.824584D+00 -0.394029D+01 -0.396828D+01
      2   0.127534D+02 -0.492923D+00 -0.948422D+00  0.242579D+00  0.288461D+00
      3  -0.432709D+01  0.684457D+01  0.123839D+00  0.369771D+01  0.367982D+01
      4   0.189179D+02  0.710547D+01  0.692407D+00  0.354812D+01  0.285012D+01
      5   0.949158D+01  0.790453D+01  0.395278D+01  0.341398D+01  0.237866D+01
      6   0.237122D+02  0.128565D+02  0.151401D+01  0.957318D+01  0.545334D+01
               136           137           138           139           140 
      1   0.182949D+02 -0.513296D+01  0.507824D+01 -0.767439D+01  0.196708D+01
      2  -0.163064D+02  0.403496D+01 -0.108018D+02  0.621574D+01 -0.105724D+01
      3  -0.198850D+01  0.109801D+01  0.572359D+01  0.145865D+01 -0.909836D+00
      4  -0.794595D+01  0.813213D+01 -0.390074D+01  0.860460D+01 -0.715682D+01
      5   0.240700D+02 -0.846280D+01  0.192576D+02 -0.123487D+02  0.906412D+01
      6  -0.718260D+01  0.760079D+01 -0.473400D+01  0.745002D+01 -0.676104D+01
               141           142           143           144           145 
      1   0.235150D+00  0.380232D+01  0.319682D+00  0.195210D+00  0.235883D+00
      2   0.596673D+01 -0.767586D+01  0.340630D+01 -0.882582D+01 -0.201993D+01
      3  -0.620188D+01  0.387354D+01 -0.372599D+01  0.863061D+01  0.178404D+01
      4   0.542558D+01 -0.238764D+01  0.316222D+01 -0.399022D+01 -0.183817D+01
      5  -0.105928D+02  0.142791D+02 -0.582331D+01  0.130041D+02 -0.140189D+01
      6   0.726745D+01 -0.379210D+01  0.521571D+01 -0.541748D+01  0.683969D+00
               146           147           148           149           150 
      1  -0.222588D+01 -0.430728D+01 -0.375308D+01 -0.661122D+00 -0.203778D+01
      2   0.124427D+01  0.123913D+01  0.262848D+01 -0.410221D+00 -0.159112D+01
      3   0.981607D+00  0.306815D+01  0.112460D+01  0.107134D+01  0.362890D+01
      4   0.179362D+01 -0.163799D+00  0.391508D+01  0.240244D+00 -0.394140D+01
      5   0.572250D+00  0.381352D+01  0.187149D+01 -0.363031D+01 -0.493943D+01
      6   0.464268D+00  0.146556D+00 -0.912845D+00  0.133316D+01  0.577316D+01
               151           152           153           154           155 
      1  -0.679642D+01 -0.168210D+01 -0.148327D+02  0.502811D+02 -0.150957D+02
      2   0.669248D+01 -0.817978D+00 -0.182952D+02 -0.234538D+02  0.616308D+01
      3   0.103939D+00  0.250008D+01  0.331279D+02 -0.268273D+02  0.893265D+01
      4  -0.617599D+00 -0.539490D+01 -0.356415D+01 -0.162767D+02  0.148792D+02
      5   0.121571D+02 -0.276377D+01 -0.376488D+02 -0.118669D+00 -0.295216D+00
      6   0.130346D+00  0.629958D+01  0.325115D+00  0.261215D+01 -0.267244D+01
               156           157           158           159           160 
      1   0.606794D+01 -0.240022D+02  0.116173D+02 -0.226292D+01  0.152942D+02
      2  -0.209539D+01  0.103129D+02 -0.148025D+01 -0.317337D+00 -0.683972D+01
      3  -0.397256D+01  0.136893D+02 -0.101371D+02  0.258025D+01 -0.845443D+01
      4  -0.209010D+01  0.178583D+02 -0.120565D+02  0.255496D+01 -0.447441D+01
      5   0.755632D+01  0.849441D+00  0.948165D+00 -0.645777D+01  0.681321D+01
      6  -0.892794D-01 -0.244330D+01  0.103384D+01  0.136114D+01 -0.532011D+00
               161           162           163           164           165 
      1  -0.350108D+01  0.405627D+01  0.117576D+02  0.606674D+01  0.126542D+01
      2   0.744999D+00 -0.381469D+01 -0.276671D+01 -0.421220D+00 -0.549385D+00
      3   0.275608D+01 -0.241587D+00 -0.899088D+01 -0.564552D+01 -0.716033D+00
      4   0.546842D+01 -0.419728D+01  0.933202D+01  0.148447D+02 -0.430262D+00
      5  -0.389885D+01  0.313624D+01 -0.787259D+00 -0.156619D+01  0.232873D+01
      6   0.775401D+00 -0.414956D+00 -0.139711D+01 -0.291144D+01  0.827969D+00
               166           167           168           169           170 
      1   0.117615D+02  0.425973D+01 -0.408409D+00  0.452739D+01  0.287200D+00
      2  -0.885572D+00  0.125918D+02  0.140837D+01 -0.127490D+01  0.126646D+01
      3  -0.108759D+02 -0.168515D+02 -0.999963D+00 -0.325250D+01 -0.155366D+01
      4   0.221740D+02  0.368151D+02 -0.799012D+00  0.148550D+01  0.311246D+01
      5  -0.403035D+01 -0.178588D+01  0.732987D+01  0.277899D+01  0.390539D+01
      6  -0.421360D+01 -0.914053D+01  0.465173D+01  0.144964D+01  0.346425D+01
               171 
      1  -0.122755D+01
      2   0.697060D-02
      3   0.122058D+01
      4   0.343183D+01
      5  -0.155273D+01
      6   0.142352D+00
 Leave Link  716 at Fri Jul  9 00:26:50 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.923719D+02 -0.426696D+01 -0.185447D+01
      2  -0.426696D+01  0.803223D+02  0.839219D+00
      3  -0.185447D+01  0.839219D+00  0.730617D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.902481D+00 -0.156654D+01 -0.644820D+00
      2   0.372266D+01  0.889410D+00  0.353606D+02
      3  -0.140644D+02 -0.190395D+02 -0.200511D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.343514D+02  0.140273D+02  0.464637D+01
      2  -0.204107D+02 -0.736276D+01 -0.874275D+00
      3  -0.139407D+02 -0.666450D+01 -0.377210D+01
      4   0.247011D+01  0.504576D+02  0.543081D+00
      5   0.756285D+01  0.590222D+00  0.813979D+02
      6  -0.309724D+00  0.454436D+01 -0.357746D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.749138D+01 -0.254184D+01 -0.419585D+00 -0.178988D+01 -0.136916D+01
      2  -0.254184D+01  0.322884D+00  0.139257D+00 -0.136916D+01  0.519553D+00
      3  -0.419585D+00  0.139257D+00 -0.710086D-01  0.190516D+00  0.970313D-01
                 6             7             8             9            10 
      1   0.190516D+00 -0.144275D+01  0.329864D-01  0.277806D+00 -0.341133D+01
      2   0.970313D-01  0.329864D-01 -0.499475D+00 -0.295703D+00  0.256602D+01
      3  -0.739501D+00  0.277806D+00 -0.295703D+00 -0.852619D+00 -0.133433D+01
                11            12            13            14            15 
      1   0.256602D+01 -0.133433D+01  0.319752D+01  0.539045D+00 -0.130077D-01
      2   0.559701D-01  0.479518D-01  0.539045D+00 -0.147715D+01 -0.332191D+00
      3   0.479518D-01 -0.896966D+00 -0.130077D-01 -0.332191D+00  0.223488D+01
                16            17            18            19            20 
      1  -0.879933D+00  0.671964D+00 -0.713547D+00  0.198928D+01 -0.198318D+01
      2   0.671964D+00 -0.110346D+01  0.832651D+00 -0.198318D+01  0.310022D+01
      3  -0.713547D+00  0.832651D+00  0.743421D+01  0.364283D+01  0.136986D+00
                21            22            23            24            25 
      1   0.364283D+01 -0.232259D+01  0.275610D+01 -0.194264D+00  0.392832D+01
      2   0.136986D+00  0.275610D+01  0.334378D+01  0.153378D+01 -0.414058D-01
      3  -0.722602D+00 -0.194264D+00  0.153378D+01 -0.211571D+01 -0.690797D+00
                26            27            28            29            30 
      1  -0.414058D-01 -0.690797D+00  0.242628D+01  0.401683D+00 -0.120976D+01
      2   0.111524D+01 -0.192573D+01  0.401683D+00 -0.295950D+01 -0.144536D+00
      3  -0.192573D+01 -0.691604D+01 -0.120976D+01 -0.144536D+00 -0.252280D+01
                31            32            33            34            35 
      1  -0.558484D-01 -0.276380D+01  0.466212D+00 -0.110490D+01  0.273952D+00
      2  -0.276380D+01 -0.117096D+01 -0.141761D+01  0.273952D+00 -0.136262D+01
      3   0.466212D+00 -0.141761D+01  0.242147D+01 -0.172337D+01  0.389418D+01
                36            37            38            39            40 
      1  -0.172337D+01 -0.404860D+01 -0.225273D+01  0.326208D+00 -0.187798D+01
      2   0.389418D+01 -0.225273D+01 -0.756881D+00  0.316987D+00 -0.373037D+00
      3   0.393132D+01  0.326208D+00  0.316987D+00  0.730232D+00 -0.173546D+00
                41            42            43            44            45 
      1  -0.373037D+00 -0.173546D+00  0.680585D+00  0.212520D+00 -0.545795D+00
      2  -0.549015D+01  0.473704D+00  0.212520D+00  0.638354D+00 -0.149308D+01
      3   0.473704D+00 -0.861087D+00 -0.545795D+00 -0.149308D+01  0.639733D+00
                46            47            48            49            50 
      1  -0.171106D+02  0.259084D+01  0.907167D+00  0.200908D+01 -0.294238D+01
      2   0.259084D+01 -0.326511D+01 -0.177257D+00 -0.294238D+01  0.235732D+01
      3   0.907167D+00 -0.177257D+00 -0.184736D+01 -0.136736D+00  0.329408D+00
                51            52            53            54            55 
      1  -0.136736D+00  0.202843D+01 -0.215779D+00 -0.361794D+01  0.398066D+01
      2   0.329408D+00 -0.215779D+00  0.635017D+00  0.779709D+00 -0.356965D+00
      3   0.842951D+00 -0.361794D+01  0.779709D+00  0.124427D+01  0.813084D-01
                56            57            58            59            60 
      1  -0.356965D+00  0.813084D-01 -0.266384D+00 -0.308005D-01  0.300841D+00
      2   0.350165D+01  0.226120D+00 -0.308005D-01  0.633647D+01 -0.356043D+00
      3   0.226120D+00  0.111962D+01  0.300841D+00 -0.356043D+00 -0.528749D+00
                61            62            63            64            65 
      1  -0.681536D+00 -0.108243D-02  0.394813D+00  0.852105D+00 -0.367529D+00
      2  -0.108243D-02  0.120527D+00  0.100930D+01 -0.367529D+00 -0.102349D+00
      3   0.394813D+00  0.100930D+01 -0.332598D+00 -0.104381D+01  0.489389D-01
                66            67            68            69            70 
      1  -0.104381D+01 -0.510378D+00 -0.198761D+00  0.217159D-01 -0.180367D+01
      2   0.489389D-01 -0.198761D+00  0.447371D+00 -0.122133D+01  0.188769D-01
      3   0.411490D+00  0.217159D-01 -0.122133D+01 -0.222295D+00  0.915868D-01
                71            72            73            74            75 
      1   0.188769D-01  0.915868D-01  0.174286D+01 -0.169542D+01  0.115395D+01
      2  -0.168081D+01  0.382731D+00 -0.169542D+01  0.239574D+01 -0.750585D+00
      3   0.382731D+00 -0.937919D+01  0.115395D+01 -0.750585D+00  0.110652D+01
                76            77            78            79            80 
      1  -0.147393D+01  0.192404D+01 -0.551215D+00  0.161311D+01 -0.102185D+01
      2   0.192404D+01 -0.536822D+01  0.188193D+01 -0.102185D+01  0.345577D+01
      3  -0.551215D+00  0.188193D+01 -0.179155D+01  0.124369D+01 -0.246602D+01
                81            82            83            84            85 
      1   0.124369D+01  0.683496D+00 -0.803240D+00 -0.127982D+01 -0.550966D+00
      2  -0.246602D+01 -0.803240D+00  0.827136D+00  0.522033D+00  0.963243D+00
      3   0.194609D+01 -0.127982D+01  0.522033D+00  0.106519D+01  0.243553D+00
                86            87            88            89            90 
      1   0.963243D+00  0.243553D+00 -0.215217D+01  0.500091D+00  0.143828D+01
      2  -0.243568D+01 -0.169965D+01  0.500091D+00 -0.302875D+01 -0.358721D+01
      3  -0.169965D+01 -0.185078D+01  0.143828D+01 -0.358721D+01 -0.641073D+01
                91            92            93            94            95 
      1  -0.482511D+01  0.215566D+01  0.449381D+00  0.150118D+01 -0.138116D+01
      2   0.215566D+01 -0.421006D+01 -0.289437D+00 -0.138116D+01  0.162261D+01
      3   0.449381D+00 -0.289437D+00 -0.115750D+01 -0.186384D+00  0.139092D+00
                96            97            98            99           100 
      1  -0.186384D+00  0.911797D+00 -0.333206D+00 -0.599685D+00  0.743420D-01
      2   0.139092D+00 -0.333206D+00  0.817177D+00  0.698657D+00  0.264802D+01
      3   0.529180D+00 -0.599685D+00  0.698657D+00  0.441335D+00 -0.439802D+01
               101           102           103           104           105 
      1   0.264802D+01 -0.439802D+01  0.293244D+01 -0.259930D+01  0.450440D+00
      2  -0.201452D+01  0.406247D+00 -0.259930D+01 -0.431145D+01 -0.247272D+01
      3   0.406247D+00  0.144509D+01  0.450440D+00 -0.247272D+01  0.207928D+01
               106           107           108           109           110 
      1  -0.385364D+01  0.237999D+00  0.127214D+01 -0.913288D+00  0.258141D+01
      2   0.237999D+00 -0.117572D+01  0.178268D+01  0.258141D+01 -0.293579D+01
      3   0.127214D+01  0.178268D+01  0.413429D+01 -0.330637D+01  0.253367D+00
               111           112           113           114           115 
      1  -0.330637D+01  0.287217D+01 -0.357258D+01  0.209695D+00 -0.356147D+01
      2   0.253367D+00 -0.357258D+01 -0.428519D+01 -0.952083D+00  0.264147D+00
      3   0.160167D+01  0.209695D+00 -0.952083D+00  0.183710D+01  0.685245D+00
               116           117           118           119           120 
      1   0.264147D+00  0.685245D+00 -0.383824D+01 -0.833293D+00  0.236168D+01
      2  -0.110549D+01  0.158467D+01 -0.833293D+00 -0.867938D+00  0.251599D+00
      3   0.158467D+01  0.661087D+01  0.236168D+01  0.251599D+00 -0.371812D+01
               121           122           123           124           125 
      1  -0.983922D+00 -0.484170D+00  0.358706D+00  0.208244D+01  0.220078D+00
      2  -0.484170D+00 -0.114312D+00  0.966156D+00  0.220078D+00  0.821314D+00
      3   0.358706D+00  0.966156D+00 -0.120352D+01 -0.198831D+01 -0.601829D+00
               126           127           128           129           130 
      1  -0.198831D+01  0.756295D+00  0.877626D+00  0.801375D+00  0.157271D+01
      2  -0.601829D+00  0.877626D+00  0.118069D+01  0.367193D+00  0.166694D+01
      3   0.351113D+01  0.801375D+00  0.367193D+00  0.237271D+00  0.835781D+00
               131           132           133           134           135 
      1   0.166694D+01  0.835781D+00  0.545024D+00  0.277116D+00  0.215378D+00
      2   0.651741D+01  0.230836D+01  0.277116D+00  0.125438D+01  0.106643D+01
      3   0.230836D+01  0.252844D+01  0.215378D+00  0.106643D+01  0.768988D+00
               136           137           138           139           140 
      1   0.480041D+01 -0.174445D+01  0.285614D+01 -0.255823D+01  0.177146D+01
      2  -0.174445D+01  0.176096D+01 -0.894524D+00  0.177146D+01 -0.148872D+01
      3   0.285614D+01 -0.894524D+00  0.259459D+01 -0.136210D+01  0.141893D+01
               141           142           143           144           145 
      1  -0.136210D+01  0.191749D+01 -0.655212D+00  0.160814D+01 -0.169611D+00
      2   0.141893D+01 -0.655212D+00  0.844356D+00 -0.103837D+01 -0.367698D+00
      3  -0.218864D+01  0.160814D+01 -0.103837D+01  0.205450D+01 -0.553207D+00
               146           147           148           149           150 
      1  -0.367698D+00 -0.553207D+00 -0.704048D+00  0.485928D+00  0.166793D+00
      2   0.549599D-01 -0.480067D-01  0.485928D+00 -0.237330D-01 -0.966791D+00
      3  -0.480067D-01 -0.617114D+00  0.166793D+00 -0.966791D+00 -0.118759D+01
               151           152           153           154           155 
      1  -0.170715D+01 -0.564527D-01  0.133245D+01  0.742253D+01 -0.229358D+01
      2  -0.564527D-01 -0.116768D+01 -0.624320D+00 -0.229358D+01  0.202215D+01
      3   0.133245D+01 -0.624320D+00 -0.875628D+01  0.782145D+00 -0.325442D+00
               156           157           158           159           160 
      1   0.782145D+00 -0.401223D+01  0.242165D+01 -0.208266D+00  0.258019D+01
      2  -0.325442D+00  0.242165D+01 -0.166817D+01  0.405781D+00 -0.560478D+00
      3   0.101751D+01 -0.208266D+00  0.405781D+00 -0.108312D+01  0.949326D+00
               161           162           163           164           165 
      1  -0.560478D+00  0.949326D+00  0.209718D+01  0.141866D+01  0.182718D+00
      2   0.841675D+00 -0.676322D+00  0.141866D+01  0.188979D+01 -0.868915D-01
      3  -0.676322D+00  0.319693D+00  0.182718D+00 -0.868915D-01  0.224296D+00
               166           167           168           169           170 
      1   0.302130D+01  0.318673D+01 -0.418736D+00  0.899843D+00  0.175737D+00
      2   0.318673D+01  0.668922D+01 -0.135758D+00  0.175737D+00  0.580197D+00
      3  -0.418736D+00 -0.135758D+00  0.129923D+01  0.370578D+00  0.677581D+00
               171 
      1   0.370578D+00
      2   0.677581D+00
      3  -0.388952D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.939989D+00  0.397937D+01 -0.881831D+00  0.289227D+01  0.172001D+01
      2  -0.188732D+01 -0.312374D+01 -0.999503D+01 -0.233262D+01 -0.765531D+00
      3  -0.186050D+01  0.812716D+01  0.111466D+01  0.190493D+00 -0.304482D+01
                 6             7             8             9            10 
      1   0.441530D+01  0.857031D+00  0.124780D+02 -0.186797D+01  0.263504D+00
      2   0.287350D+01 -0.136864D+02 -0.317952D+01  0.368051D+01 -0.348928D+01
      3  -0.155481D+01  0.285929D+01 -0.560250D+01  0.309539D+00  0.139017D+01
                11            12            13            14            15 
      1  -0.109242D+01 -0.250427D+01 -0.198077D+01  0.876838D+00 -0.706601D+00
      2   0.223498D+01  0.118787D+01  0.398607D+01  0.458002D+00  0.350940D+01
      3  -0.239332D+01 -0.691216D+00  0.685950D+01 -0.836393D+00  0.113776D+01
                16            17            18            19            20 
      1  -0.120666D+01  0.222242D+01 -0.140461D+01 -0.587729D+00 -0.170391D+00
      2  -0.252673D+01  0.694907D+00 -0.449602D+01  0.829261D+01 -0.181818D+00
      3  -0.674601D+00  0.226193D+01 -0.173357D+01  0.283113D+01 -0.845114D+01
                21            22            23            24            25 
      1   0.694480D+00 -0.272626D+00  0.505175D+00 -0.585519D+01  0.436168D+00
      2   0.381760D+01 -0.815979D+00  0.187734D+01 -0.273239D+01 -0.510405D+01
      3  -0.961319D-02 -0.216661D+00 -0.587545D+01 -0.277276D+01  0.633456D+00
                26            27            28            29            30 
      1   0.239698D+01 -0.102843D+01 -0.112334D+00  0.203832D+01 -0.457313D+01
      2  -0.244987D+01 -0.487569D+01 -0.170435D+01  0.609200D+00 -0.259540D+01
      3  -0.233615D+01  0.194219D+01 -0.105310D+02  0.174130D+01  0.885369D+00
                31            32            33            34            35 
      1   0.304621D+01 -0.357046D+01  0.557002D+01 -0.291162D+01  0.122652D+02
      2  -0.270459D+00 -0.249310D+01  0.193581D+01 -0.634381D+01  0.489031D+01
      3   0.426019D+01  0.594088D+01  0.166481D+01  0.286951D+00  0.134349D+01
                36            37            38            39            40 
      1   0.643343D+01 -0.327762D+00 -0.157513D+01 -0.297716D+00  0.115318D+01
      2   0.286102D+01 -0.358597D+00  0.128756D+01  0.625274D+01  0.672718D+00
      3   0.122293D+01  0.100576D+02 -0.274411D+01 -0.108939D+01  0.114069D+02
                41            42            43            44            45 
      1   0.164401D+01 -0.659899D+01 -0.445712D+01 -0.184229D+01  0.182786D+01
      2  -0.327787D+00 -0.622115D+00 -0.311487D+01  0.376882D+01 -0.144625D+01
      3  -0.494321D+01 -0.113763D+00 -0.330908D+01  0.607632D+00 -0.307089D+00
                46            47            48            49            50 
      1   0.136810D+01 -0.107961D+01  0.141245D+01 -0.953953D+00 -0.300367D+00
      2  -0.305705D+01  0.326881D+00  0.142753D+02  0.111479D+01 -0.624870D+00
      3   0.884217D+01 -0.194426D+02 -0.607500D+00 -0.222123D+01  0.905171D+01
                51            52            53            54            55 
      1  -0.349726D+01 -0.179890D+01  0.420661D+00  0.629916D+00  0.129505D+01
      2  -0.227890D+01  0.491049D+01  0.738071D+00 -0.440673D+01 -0.374627D+00
      3   0.763308D+00 -0.556815D+00  0.435788D+01  0.275453D+01  0.130515D+02
                56            57            58            59            60 
      1  -0.122853D+01 -0.193113D+01  0.132675D+00 -0.339151D+01 -0.638739D+01
      2   0.927569D+00  0.107445D+01 -0.607692D+00 -0.702554D+00 -0.118973D+01
      3  -0.522043D+00 -0.981872D+00  0.575959D+01  0.397860D+01  0.132333D+00
                61            62            63            64            65 
      1  -0.816676D+00  0.181579D+01 -0.191674D+01  0.228835D+00 -0.691866D-01
      2  -0.355867D+01  0.420364D+00 -0.110161D+00  0.207115D+01 -0.297820D+00
      3  -0.128972D+01  0.116656D+00  0.182344D+01  0.605276D+00 -0.100313D+01
                66            67            68            69            70 
      1   0.282835D+00 -0.354962D+00  0.523764D+00  0.445657D+00 -0.503108D+00
      2  -0.980478D-01 -0.988692D+00  0.407952D+00 -0.107772D+00 -0.471320D+01
      3  -0.508018D+00  0.276023D+00  0.131499D+00 -0.374495D+00 -0.896409D+00
                71            72            73            74            75 
      1   0.393222D+01  0.446243D+01  0.273557D+01 -0.171415D+01  0.299543D+01
      2   0.321805D+00  0.331483D+01  0.815050D+00 -0.783434D+00  0.208833D+01
      3  -0.759149D+00  0.658065D+00 -0.278786D+01 -0.742080D-01 -0.180085D+01
                76            77            78            79            80 
      1  -0.188625D+01  0.434152D+01 -0.563255D+01  0.295641D+01 -0.369676D+01
      2   0.254591D+00  0.179052D+01 -0.206795D+01 -0.899197D-01 -0.222112D+01
      3   0.432079D+01 -0.679656D+00 -0.117319D+00 -0.389152D+01 -0.111945D+01
                81            82            83            84            85 
      1   0.557282D+01 -0.236734D+01  0.656321D-01  0.207628D+01 -0.182555D+00
      2   0.212754D+01  0.100130D+00 -0.160250D+00  0.746888D+00 -0.646813D+00
      3  -0.978223D+00 -0.134619D+01 -0.466398D+00  0.226889D+01  0.150832D+01
                86            87            88            89            90 
      1  -0.157843D+01 -0.429565D+01  0.320584D+01 -0.263452D+01 -0.115650D+02
      2  -0.746178D+00 -0.147521D+01 -0.234125D+01 -0.247730D+01 -0.441739D+01
      3  -0.107615D+01  0.400311D+00  0.539487D+01  0.112810D+01 -0.141539D+01
                91            92            93            94            95 
      1  -0.231416D+01  0.142798D+01  0.292396D+01  0.292974D+00 -0.960469D+00
      2  -0.260131D+00  0.117533D+00  0.200251D+01  0.110988D+00  0.134963D+00
      3  -0.136567D+02 -0.145391D+01  0.144973D+01  0.125977D+01 -0.320376D+01
                96            97            98            99           100 
      1  -0.135570D+01  0.960448D+00 -0.605397D+00 -0.125521D+01  0.594824D+01
      2  -0.718537D+00 -0.407073D+00 -0.809742D+00 -0.391921D+00 -0.599009D+01
      3  -0.986802D-01  0.221211D+01 -0.289940D+00 -0.575550D+00 -0.329280D+01
               101           102           103           104           105 
      1  -0.415328D+01 -0.219075D+00 -0.516934D+01 -0.866607D+01 -0.857389D+01
      2  -0.426988D+01  0.141705D+02 -0.448483D+01  0.129312D+01  0.193816D+01
      3   0.180669D+01 -0.216788D+01  0.659551D+01  0.525528D+01  0.314516D+01
               106           107           108           109           110 
      1   0.514974D+00 -0.217045D+01  0.319760D+01 -0.128880D+01  0.294774D+01
      2   0.692068D+01  0.174013D+01  0.188847D+01 -0.106866D+02  0.268686D+01
      3  -0.148781D+01  0.221084D+01 -0.199436D+01 -0.735129D+01  0.694700D+01
               111           112           113           114           115 
      1  -0.621825D+00  0.402084D+01  0.450040D+01 -0.159660D+01  0.241032D+00
      2   0.184558D+01  0.306172D+01 -0.562038D+01  0.470214D+01 -0.456829D+01
      3  -0.135600D+01  0.152922D+02  0.111817D+02  0.164014D+01 -0.194255D+01
               116           117           118           119           120 
      1   0.203533D+01 -0.344948D+01 -0.222591D+01 -0.295804D+01  0.867748D+00
      2   0.386466D+01  0.182763D+02  0.128137D+02  0.238258D+01 -0.625505D+01
      3   0.303146D+01 -0.410633D+01 -0.136286D+00 -0.891133D+00  0.317841D+00
               121           122           123           124           125 
      1  -0.123775D+01 -0.713478D+00  0.784746D+00  0.109253D+01  0.309596D+01
      2   0.294949D+01  0.202544D+01 -0.158669D+01 -0.816640D+01 -0.117968D+01
      3   0.117819D+01 -0.153887D+00 -0.893294D+00 -0.385572D-04  0.160477D-02
               126           127           128           129           130 
      1  -0.172068D+01  0.132575D+01  0.205114D+01  0.263043D+00  0.229813D+01
      2   0.668840D+01  0.233314D+00 -0.799442D+00  0.142267D+00 -0.234072D+01
      3   0.523528D-01 -0.690500D+00 -0.193028D+01 -0.451245D+00  0.104747D+01
               131           132           133           134           135 
      1   0.126808D+02  0.175262D+00  0.759631D+00  0.291758D+01  0.157443D+01
      2   0.621463D+00  0.271433D+01 -0.149879D+01  0.831792D+00  0.726618D+00
      3  -0.918546D+01 -0.259108D+01 -0.106755D+00 -0.164902D+01 -0.169469D+01
               136           137           138           139           140 
      1  -0.392127D+01  0.460346D+01 -0.114049D+01  0.322711D+01 -0.362260D+01
      2  -0.523470D+01  0.215449D+01  0.119409D+01  0.349065D+01 -0.119137D+01
      3   0.231916D+01 -0.458662D+01  0.159652D+01 -0.139204D+01  0.317040D+01
               141           142           143           144           145 
      1   0.117300D+01 -0.165908D+01  0.302984D+01 -0.196606D+01  0.526191D+00
      2  -0.148360D+01 -0.304826D+01 -0.750328D-01  0.511608D+00 -0.234515D+01
      3  -0.191619D+01  0.909962D+00 -0.185612D+01  0.176491D+01  0.893652D+00
               146           147           148           149           150 
      1   0.218940D+00  0.188618D-01 -0.253320D+00  0.644595D+00  0.226032D+00
      2  -0.441214D+00 -0.680790D+00 -0.857155D+00 -0.167905D+01 -0.281339D+01
      3  -0.895090D+00 -0.536073D-01 -0.280792D+00  0.236734D+00  0.209894D+01
               151           152           153           154           155 
      1  -0.409508D-01  0.428322D+01  0.263367D+01  0.182467D+01 -0.145693D+01
      2  -0.233208D+01 -0.193579D+01 -0.209010D+02  0.806242D+01 -0.314176D+01
      3   0.140144D+00  0.313445D+01  0.186323D+01  0.671306D+01 -0.814873D+01
               156           157           158           159           160 
      1   0.103369D+01 -0.159652D+01  0.978787D+00 -0.166124D+01  0.288804D+00
      2   0.574548D+01 -0.359915D+01  0.315756D+01 -0.444427D+01  0.300244D+01
      3   0.121392D+01 -0.516258D+01  0.580786D+01 -0.138421D+01  0.150734D+01
               161           162           163           164           165 
      1   0.213809D+00  0.894539D+00 -0.143062D+01 -0.183491D+01 -0.399318D+00
      2  -0.228774D+01  0.233975D+01  0.207144D+01  0.892802D+00  0.161403D+01
      3  -0.300202D+01  0.194277D+01 -0.291785D+01 -0.578316D+01  0.451469D+00
               166           167           168           169           170 
      1  -0.224726D+01 -0.603361D+01 -0.316222D+01 -0.514645D-01  0.611364D-02
      2   0.130308D+01  0.238445D+01  0.384723D+01  0.477537D+00  0.147906D+01
      3  -0.449291D+01 -0.178900D+02 -0.930901D-01  0.211166D+00 -0.157969D+01
               171 
      1  -0.633751D+00
      2  -0.442906D+00
      3  -0.152875D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.510811D+02  0.945788D+00  0.907748D+00  0.133565D+02  0.913722D+01
      2   0.289411D+02  0.345959D+01 -0.404689D+01 -0.902655D+01 -0.116358D+02
      3   0.221400D+02 -0.440538D+01  0.313915D+01 -0.432995D+01  0.249863D+01
      4   0.101711D+02 -0.122742D+02 -0.102182D+00 -0.126049D+00  0.693458D+01
      5   0.275896D+01  0.524629D+00 -0.146292D+02 -0.105054D+01  0.490203D+00
      6  -0.130203D+00 -0.522627D+00  0.402198D+01 -0.113023D+00 -0.160193D+00
                 6             7             8             9            10 
      1  -0.246473D+01  0.921135D+01 -0.217300D+01 -0.674520D+01 -0.208849D+01
      2   0.658514D+00 -0.672970D+01  0.107811D+00 -0.371780D+01  0.564231D+01
      3   0.180622D+01 -0.248166D+01  0.206519D+01  0.104630D+02 -0.355382D+01
      4   0.682843D+00 -0.755756D+00  0.322915D+01  0.126158D+01 -0.234362D+01
      5   0.889754D+01  0.419297D+01 -0.191034D-01  0.670686D+01 -0.179971D+01
      6  -0.503744D+01  0.704957D+00  0.223848D+01  0.125041D+01 -0.397158D+00
                11            12            13            14            15 
      1  -0.214734D+01 -0.827773D+00  0.730485D+01  0.555666D+00  0.210992D+01
      2   0.374351D+01  0.436427D-02 -0.350829D+01 -0.650481D+01  0.536595D+01
      3  -0.159618D+01  0.823409D+00 -0.379656D+01  0.594914D+01 -0.747587D+01
      4  -0.426233D+00 -0.105668D+00 -0.427879D+01  0.154091D+01 -0.119976D+01
      5  -0.178464D+01  0.504747D+00 -0.227881D+01 -0.104613D+00  0.420831D+01
      6  -0.157231D+01  0.229146D+01 -0.973283D+00  0.577585D+00 -0.248031D+01
                16            17            18            19            20 
      1  -0.698526D+01  0.774387D+00  0.141051D+02 -0.371713D+01 -0.269739D+01
      2   0.244162D+01 -0.359696D+01  0.151047D+02 -0.318526D+01 -0.209128D+01
      3   0.454364D+01  0.282257D+01 -0.292097D+02  0.690239D+01  0.478867D+01
      4  -0.141736D+01 -0.563886D+00 -0.320404D+01 -0.431206D+01  0.484467D+01
      5   0.467284D+00 -0.128598D+01 -0.145055D+01  0.150266D+02  0.173991D+01
      6  -0.293939D+01  0.118267D+01  0.700902D+01  0.569738D+00  0.260897D+01
                21            22            23            24            25 
      1   0.105937D+02 -0.872178D+01  0.108943D+02  0.180506D+01  0.149827D+02
      2  -0.482192D+01  0.511246D+01 -0.101169D+02 -0.169216D+00 -0.608064D+01
      3  -0.577176D+01  0.360932D+01 -0.777339D+00 -0.163585D+01 -0.890203D+01
      4   0.453339D+00  0.904986D+01  0.707381D+01  0.187991D+01  0.567193D+00
      5  -0.299218D+01  0.122135D+01  0.176238D+01 -0.543857D+01 -0.340100D+01
      6  -0.278153D+01  0.154696D+01 -0.296483D+01  0.392169D+01 -0.291379D+01
                26            27            28            29            30 
      1   0.717549D+00 -0.515868D+01 -0.162631D+01 -0.840631D+01 -0.311229D+01
      2   0.447925D+00  0.560859D+01  0.144210D+01  0.133409D+02 -0.120903D+01
      3  -0.116547D+01 -0.449906D+00  0.184212D+00 -0.493455D+01  0.432132D+01
      4   0.149707D+01 -0.569285D+01 -0.383867D+01 -0.141002D+02  0.248039D+01
      5  -0.513620D+01 -0.137442D+02 -0.428177D+01  0.107233D+01 -0.698527D+01
      6   0.295227D+01 -0.158808D+01  0.117161D+01 -0.114635D+01  0.102323D+02
                31            32            33            34            35 
      1  -0.514667D+01 -0.266596D+01  0.327855D+00 -0.281479D+01  0.114787D+01
      2   0.820283D+01  0.317216D+01  0.688432D+01 -0.227700D+01  0.791776D+01
      3  -0.305616D+01 -0.506200D+00 -0.721217D+01  0.509179D+01 -0.906563D+01
      4  -0.722891D+01  0.525973D+01 -0.307597D+01  0.256202D+01 -0.273708D+01
      5   0.570566D+00 -0.180365D+01  0.376803D+01 -0.447192D+01  0.864585D+01
      6  -0.311636D+01  0.857430D+01 -0.126330D+02  0.949360D+01 -0.178883D+02
                36            37            38            39            40 
      1   0.121072D+02  0.701341D+01  0.374966D+01  0.101809D+01 -0.290828D+01
      2  -0.102186D+02  0.346962D+00 -0.132976D+01  0.916519D+00  0.388614D+01
      3  -0.188858D+01 -0.736037D+01 -0.241990D+01 -0.193461D+01 -0.977858D+00
      4   0.116792D+02  0.110670D+02  0.185176D+02 -0.947837D+00  0.111923D+02
      5   0.766771D+01  0.136902D+01  0.420129D+00  0.921416D+01  0.564094D+00
      6  -0.132642D+02  0.436563D+00 -0.120666D+01 -0.145464D+01  0.433224D+00
                41            42            43            44            45 
      1  -0.162663D+02  0.141458D+01 -0.347168D+00  0.610143D+00 -0.456110D+01
      2   0.264924D+02 -0.815879D+00  0.492967D+00 -0.220662D+00  0.321057D+01
      3  -0.102261D+02 -0.598701D+00 -0.145799D+00 -0.389481D+00  0.135053D+01
      4   0.916798D+01 -0.939539D+00 -0.121228D+01 -0.149874D+01  0.549561D+01
      5   0.920765D+00 -0.236166D+01  0.342283D+01  0.395410D+01 -0.183695D+01
      6  -0.429328D+00  0.104096D+02  0.176979D+01  0.907353D+01 -0.204454D+01
                46            47            48            49            50 
      1   0.992775D+02 -0.963470D+01 -0.360511D+01 -0.114833D+02  0.809691D+01
      2  -0.565299D+02  0.510887D+01  0.320400D+01  0.679078D+01 -0.206465D+00
      3  -0.427477D+02  0.452583D+01  0.401112D+00  0.469248D+01 -0.789045D+01
      4  -0.795631D+01  0.224513D+02  0.584490D+00  0.209300D+02 -0.854208D+01
      5  -0.248173D+01  0.246956D+00  0.238749D+02  0.107447D+01 -0.120131D+01
      6   0.201928D+00  0.683349D+00 -0.236429D+01 -0.782618D+00 -0.309587D+00
                51            52            53            54            55 
      1   0.863633D+00 -0.861246D+01  0.141040D+01  0.131117D+02 -0.141994D+01
      2  -0.389370D+00  0.623674D+01 -0.107455D+00 -0.115159D+02 -0.901531D+00
      3  -0.474264D+00  0.237572D+01 -0.130295D+01 -0.159585D+01  0.232147D+01
      4  -0.222276D+01  0.142169D+01 -0.329615D+01 -0.128361D+01  0.157570D+02
      5  -0.536486D+01  0.239787D+02 -0.363501D+01 -0.768852D+01  0.588820D+00
      6   0.505723D+01 -0.308018D+00  0.429392D+01 -0.701891D-02 -0.167140D+01
                56            57            58            59            60 
      1  -0.343088D+01  0.764356D+00 -0.261538D+01 -0.241493D+02 -0.174547D+01
      2   0.772826D+01  0.846970D+00  0.190366D+01  0.381974D+02 -0.416839D+01
      3  -0.429737D+01 -0.161133D+01  0.711726D+00 -0.140481D+02  0.591386D+01
      4  -0.451278D+01 -0.162887D+01  0.455569D+01 -0.345448D+01  0.131741D+01
      5  -0.993733D+00  0.274821D+01  0.663382D+00  0.231501D+00 -0.245550D+01
      6   0.578233D+00  0.181560D+01  0.130877D+01 -0.246291D+01  0.101901D+02
                61            62            63            64            65 
      1   0.272454D+00 -0.808193D+00 -0.662819D+01 -0.465400D+00  0.942870D+00
      2   0.476562D+00  0.299721D+01  0.109146D+01 -0.400809D+01 -0.442960D+00
      3  -0.749016D+00 -0.218902D+01  0.553673D+01  0.447349D+01 -0.499910D+00
      4  -0.136321D+01  0.136183D+01  0.642894D+00  0.113723D+01  0.202968D+01
      5   0.263799D+01 -0.102377D+01  0.705955D-01  0.389952D+00 -0.256573D+00
      6   0.111254D+01  0.850507D+01  0.295218D+00 -0.140119D+01  0.139644D+00
                66            67            68            69            70 
      1   0.627480D+00 -0.849909D-01 -0.373727D+01  0.653116D+00  0.158014D+01
      2   0.817025D-01  0.492944D+00  0.531825D+00 -0.297704D+01  0.321059D+00
      3  -0.709183D+00 -0.407953D+00  0.320545D+01  0.232392D+01 -0.190120D+01
      4  -0.150362D+01  0.175880D+01  0.171452D-02  0.533675D+00 -0.157844D+01
      5   0.672884D+01  0.356938D+00  0.307692D+00 -0.586554D-01  0.591480D+01
      6  -0.300464D-01  0.119254D+00 -0.162988D+01  0.648326D+01  0.710025D+00
                71            72            73            74            75 
      1   0.321043D+01 -0.209639D+02  0.907307D+00  0.290901D+01 -0.399584D+00
      2  -0.282437D+01 -0.200793D+02  0.425273D+01 -0.917074D+01  0.197642D+01
      3  -0.386063D+00  0.410431D+02 -0.516004D+01  0.626173D+01 -0.157684D+01
      4   0.157211D+01  0.162003D+01 -0.938939D+01  0.130933D+02 -0.563866D+01
      5   0.227264D+00  0.413607D+01  0.342397D+01 -0.311075D+01  0.400076D+01
      6   0.627482D+01 -0.113447D+02 -0.570550D+01  0.452688D+01 -0.499518D+01
                76            77            78            79            80 
      1   0.365475D+01 -0.145355D+02  0.494508D+01 -0.411700D+00  0.877619D+01
      2  -0.801190D+01  0.272900D+02 -0.898541D+01  0.246235D+01 -0.150675D+02
      3   0.435715D+01 -0.127545D+02  0.404033D+01 -0.205065D+01  0.629127D+01
      4   0.974306D+01 -0.139028D+02  0.491000D+01 -0.759791D+01  0.864646D+01
      5  -0.230704D+01  0.361164D+01 -0.348096D+01  0.444607D+01 -0.502727D+01
      6   0.339186D+01 -0.120707D+02  0.103347D+02 -0.590938D+01  0.142231D+02
                81            82            83            84            85 
      1  -0.773564D+01 -0.614671D+00  0.114844D+01  0.710625D-01  0.225564D+01
      2   0.717840D+01  0.572877D-01 -0.253820D+01  0.375918D+00 -0.340014D+01
      3   0.557237D+00  0.557383D+00  0.138976D+01 -0.446981D+00  0.114449D+01
      4  -0.697077D+01 -0.346615D+01  0.660205D+01  0.502108D+01  0.467534D+01
      5   0.427496D+01 -0.315314D+01  0.291880D+01  0.644468D+01  0.158146D+01
      6  -0.104173D+02  0.546209D+01 -0.231687D+01 -0.434989D+01 -0.183829D+01
                86            87            88            89            90 
      1  -0.912311D+01 -0.662015D+01  0.133532D+01 -0.115392D+02 -0.168093D+02
      2   0.106132D+02  0.587007D+01  0.108444D+01  0.899379D+01  0.316649D+01
      3  -0.149004D+01  0.750080D+00 -0.241976D+01  0.254544D+01  0.136428D+02
      4  -0.539822D+01 -0.238458D+01  0.639685D+01 -0.564477D+01 -0.748905D+01
      5  -0.273990D+01 -0.286722D+01  0.742078D+01 -0.602974D+01 -0.102180D+02
      6   0.100693D+02  0.123152D+02 -0.643002D+01  0.190658D+02  0.265575D+02
                91            92            93            94            95 
      1   0.702778D+01  0.316171D+01 -0.848343D+00 -0.519433D+00 -0.589849D+00
      2   0.276218D+01 -0.114426D+02 -0.846928D+00 -0.363609D+01  0.609522D+01
      3  -0.978995D+01  0.828090D+01  0.169527D+01  0.415553D+01 -0.550537D+01
      4  -0.217017D+02  0.172208D+02  0.247948D+01  0.842102D+01 -0.710593D+01
      5  -0.642926D+00  0.543131D+00  0.235950D+01  0.171412D+00 -0.472492D+00
      6   0.209615D+01 -0.474663D+00 -0.415697D+01 -0.670338D+00  0.459680D+00
                96            97            98            99           100 
      1   0.584882D-01 -0.271929D+00 -0.106807D+01 -0.764885D+00  0.497299D+01
      2   0.330814D+00 -0.800087D+00  0.200330D+01  0.368495D+00  0.823887D+01
      3  -0.389302D+00  0.107202D+01 -0.935231D+00  0.396390D+00 -0.132119D+02
      4  -0.859528D+00  0.319216D+01 -0.234346D+01 -0.324538D+01  0.845436D+01
      5  -0.903036D+00  0.319010D+01 -0.215241D+01 -0.779528D+00 -0.104592D+02
      6   0.217596D+01 -0.286022D+01  0.371551D+01  0.182716D+01  0.931101D+01
               101           102           103           104           105 
      1   0.873161D+01 -0.148938D+02  0.113339D+02 -0.164832D+01  0.151065D+01
      2  -0.621903D+01  0.306855D+01 -0.936831D+01 -0.142873D+00 -0.784120D+01
      3  -0.251258D+01  0.118252D+02 -0.196555D+01  0.179119D+01  0.633055D+01
      4  -0.541810D+01  0.316831D+01 -0.835290D+01 -0.113709D+02 -0.779757D+01
      5   0.954799D+01 -0.113182D+02  0.103484D+02 -0.124103D+02  0.632262D+01
      6  -0.741912D+01  0.205115D+01 -0.975581D+01 -0.128014D+02 -0.693295D+01
               106           107           108           109           110 
      1  -0.134135D+02 -0.112559D+00 -0.423581D+01 -0.966201D+01  0.165094D+02
      2   0.225381D+01 -0.642019D+01 -0.709156D+01 -0.375066D+00 -0.947124D+01
      3   0.111597D+02  0.653275D+01  0.113274D+02  0.100371D+02 -0.703819D+01
      4   0.201776D+01 -0.445940D+01  0.554900D+01  0.163800D+02 -0.158873D+02
      5  -0.105894D+02  0.522764D+01  0.134973D+02 -0.180697D+02 -0.913527D+00
      6   0.218776D+01 -0.539936D+01  0.735056D+01 -0.408487D+01  0.317851D+01
               111           112           113           114           115 
      1  -0.159077D+02  0.210617D+02 -0.151647D+02  0.422331D+01 -0.201141D+02
      2   0.945070D+01 -0.146564D+02  0.321589D+00  0.437013D+00  0.864804D+01
      3   0.645701D+01 -0.640522D+01  0.148432D+02 -0.466032D+01  0.114661D+02
      4   0.114261D+01 -0.222057D+02 -0.223470D+02 -0.393555D+01  0.247864D+01
      5   0.877963D+01 -0.652877D+00 -0.247192D+01  0.701217D+01  0.688512D+01
      6   0.370702D+00  0.444450D+01  0.495471D+01  0.173400D+01  0.100899D+01
               116           117           118           119           120 
      1   0.509911D+01  0.150509D+02 -0.746007D+01 -0.234202D+01  0.132897D+02
      2  -0.101353D+01  0.631576D+01 -0.287971D+01  0.518676D+00  0.532797D+01
      3  -0.408558D+01 -0.213666D+02  0.103398D+02  0.182334D+01 -0.186177D+02
      4  -0.621934D+01  0.804090D+01 -0.137871D+01  0.982920D+00  0.312939D+00
      5   0.677912D+01  0.231215D+02 -0.106333D+02 -0.260079D+01  0.633066D+01
      6   0.175844D+01 -0.240963D+01 -0.289776D+01 -0.417541D+01  0.151895D+01
               121           122           123           124           125 
      1  -0.323202D+01 -0.310865D+01  0.318478D+01  0.917325D+01  0.191208D+01
      2   0.129514D+01  0.592106D+00  0.194507D+01  0.275257D+01  0.138098D+01
      3   0.193688D+01  0.251655D+01 -0.512985D+01 -0.119258D+02 -0.329306D+01
      4   0.212667D+01  0.111577D+01  0.891351D+00  0.590366D+00  0.559879D+00
      5  -0.303143D+01 -0.207699D+00 -0.522634D+00  0.829629D+01  0.375115D+00
      6  -0.225843D+01 -0.114511D+01  0.561351D+01  0.133632D+01  0.499829D+01
               126           127           128           129           130 
      1  -0.137029D+02  0.152925D+01  0.125867D+01  0.174551D+01  0.225735D+01
      2  -0.748885D+01 -0.838519D+00  0.629612D+00 -0.884552D+00 -0.370835D-01
      3   0.211917D+02 -0.690732D+00 -0.188828D+01 -0.860955D+00 -0.222026D+01
      4  -0.933855D+00  0.388173D+01  0.754924D+01  0.170833D+01  0.955951D+01
      5  -0.492901D+01  0.434747D+01  0.323732D+01  0.504428D+01  0.642675D+01
      6  -0.246356D+01  0.232258D+01  0.463726D+01  0.167916D+01  0.652885D+01
               131           132           133           134           135 
      1  -0.842632D+01 -0.635164D+01  0.824584D+00 -0.394029D+01 -0.396828D+01
      2   0.127534D+02 -0.492923D+00 -0.948422D+00  0.242579D+00  0.288461D+00
      3  -0.432709D+01  0.684457D+01  0.123839D+00  0.369771D+01  0.367982D+01
      4   0.189179D+02  0.710547D+01  0.692407D+00  0.354812D+01  0.285012D+01
      5   0.949158D+01  0.790453D+01  0.395278D+01  0.341398D+01  0.237866D+01
      6   0.237122D+02  0.128565D+02  0.151401D+01  0.957318D+01  0.545334D+01
               136           137           138           139           140 
      1   0.182949D+02 -0.513296D+01  0.507824D+01 -0.767439D+01  0.196708D+01
      2  -0.163064D+02  0.403496D+01 -0.108018D+02  0.621574D+01 -0.105724D+01
      3  -0.198850D+01  0.109801D+01  0.572359D+01  0.145865D+01 -0.909836D+00
      4  -0.794595D+01  0.813213D+01 -0.390074D+01  0.860460D+01 -0.715682D+01
      5   0.240700D+02 -0.846280D+01  0.192576D+02 -0.123487D+02  0.906412D+01
      6  -0.718260D+01  0.760079D+01 -0.473400D+01  0.745002D+01 -0.676104D+01
               141           142           143           144           145 
      1   0.235150D+00  0.380232D+01  0.319682D+00  0.195210D+00  0.235883D+00
      2   0.596673D+01 -0.767586D+01  0.340630D+01 -0.882582D+01 -0.201993D+01
      3  -0.620188D+01  0.387354D+01 -0.372599D+01  0.863061D+01  0.178404D+01
      4   0.542558D+01 -0.238764D+01  0.316222D+01 -0.399022D+01 -0.183817D+01
      5  -0.105928D+02  0.142791D+02 -0.582331D+01  0.130041D+02 -0.140189D+01
      6   0.726745D+01 -0.379210D+01  0.521571D+01 -0.541748D+01  0.683969D+00
               146           147           148           149           150 
      1  -0.222588D+01 -0.430728D+01 -0.375308D+01 -0.661122D+00 -0.203778D+01
      2   0.124427D+01  0.123913D+01  0.262848D+01 -0.410221D+00 -0.159112D+01
      3   0.981607D+00  0.306815D+01  0.112460D+01  0.107134D+01  0.362890D+01
      4   0.179362D+01 -0.163799D+00  0.391508D+01  0.240244D+00 -0.394140D+01
      5   0.572250D+00  0.381352D+01  0.187149D+01 -0.363031D+01 -0.493943D+01
      6   0.464268D+00  0.146556D+00 -0.912845D+00  0.133316D+01  0.577316D+01
               151           152           153           154           155 
      1  -0.679642D+01 -0.168210D+01 -0.148327D+02  0.502811D+02 -0.150957D+02
      2   0.669248D+01 -0.817978D+00 -0.182952D+02 -0.234538D+02  0.616308D+01
      3   0.103939D+00  0.250008D+01  0.331279D+02 -0.268273D+02  0.893265D+01
      4  -0.617599D+00 -0.539490D+01 -0.356415D+01 -0.162767D+02  0.148792D+02
      5   0.121571D+02 -0.276377D+01 -0.376488D+02 -0.118669D+00 -0.295216D+00
      6   0.130346D+00  0.629958D+01  0.325115D+00  0.261215D+01 -0.267244D+01
               156           157           158           159           160 
      1   0.606794D+01 -0.240022D+02  0.116173D+02 -0.226292D+01  0.152942D+02
      2  -0.209539D+01  0.103129D+02 -0.148025D+01 -0.317337D+00 -0.683972D+01
      3  -0.397256D+01  0.136893D+02 -0.101371D+02  0.258025D+01 -0.845443D+01
      4  -0.209010D+01  0.178583D+02 -0.120565D+02  0.255496D+01 -0.447441D+01
      5   0.755632D+01  0.849441D+00  0.948165D+00 -0.645777D+01  0.681321D+01
      6  -0.892794D-01 -0.244330D+01  0.103384D+01  0.136114D+01 -0.532011D+00
               161           162           163           164           165 
      1  -0.350108D+01  0.405627D+01  0.117576D+02  0.606674D+01  0.126542D+01
      2   0.744999D+00 -0.381469D+01 -0.276671D+01 -0.421220D+00 -0.549385D+00
      3   0.275608D+01 -0.241587D+00 -0.899088D+01 -0.564552D+01 -0.716033D+00
      4   0.546842D+01 -0.419728D+01  0.933202D+01  0.148447D+02 -0.430262D+00
      5  -0.389885D+01  0.313624D+01 -0.787259D+00 -0.156619D+01  0.232873D+01
      6   0.775401D+00 -0.414956D+00 -0.139711D+01 -0.291144D+01  0.827969D+00
               166           167           168           169           170 
      1   0.117615D+02  0.425973D+01 -0.408409D+00  0.452739D+01  0.287200D+00
      2  -0.885572D+00  0.125918D+02  0.140837D+01 -0.127490D+01  0.126646D+01
      3  -0.108759D+02 -0.168515D+02 -0.999963D+00 -0.325250D+01 -0.155366D+01
      4   0.221740D+02  0.368151D+02 -0.799012D+00  0.148550D+01  0.311246D+01
      5  -0.403035D+01 -0.178588D+01  0.732987D+01  0.277899D+01  0.390539D+01
      6  -0.421360D+01 -0.914053D+01  0.465173D+01  0.144964D+01  0.346425D+01
               171 
      1  -0.122755D+01
      2   0.697060D-02
      3   0.122058D+01
      4   0.343183D+01
      5  -0.155273D+01
      6   0.142352D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.135843D+01      0.345279D+01      0.115173D+02
   y         -0.317516D+00     -0.807046D+00     -0.269202D+01
   z         -0.285117D+00     -0.724696D+00     -0.241732D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.874530D+02      0.129592D+02      0.144191D+02
   yx        -0.441639D+01     -0.654442D+00     -0.728165D+00
   yy         0.759243D+02      0.112508D+02      0.125182D+02
   zx        -0.164996D+01     -0.244499D+00     -0.272041D+00
   zy         0.102113D+01      0.151316D+00      0.168362D+00
   zz         0.690442D+02      0.102313D+02      0.113839D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.819186D+02      0.121391D+02      0.135066D+02
   aniso      0.187736D+02      0.278196D+01      0.309535D+01
   xx         0.923719D+02      0.136881D+02      0.152301D+02
   yx        -0.426696D+01     -0.632299D+00     -0.703527D+00
   yy         0.803223D+02      0.119025D+02      0.132434D+02
   zx        -0.185447D+01     -0.274805D+00     -0.305762D+00
   zy         0.839219D+00      0.124359D+00      0.138369D+00
   zz         0.730617D+02      0.108266D+02      0.120462D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.94103562          0.86388277         -2.35731975
     6         -0.86959382         -1.33509449         -0.51013114
     6          0.45218469         -0.16747517          1.79877613
     6         -0.65426591          2.51819149          1.61728031
     8         -0.92373926          3.05279597         -1.06020152
     8         -0.96263266          0.71670742         -4.61712433
     8          0.28753686         -3.48191667         -1.53686852
     1         -2.84421426         -1.75092919          0.00360528
     1          0.57324430          3.96495452          2.40928737
     1         -2.51950098          2.64792166          2.49151109
     1          0.19548180         -3.32322763         -3.35795928
     6          3.31902160         -0.11001603          1.41659827
     6         -0.23119251         -1.46218598          4.27766233
     1          3.84121063          0.89851406         -0.30523719
     1          4.06280593         -2.02237814          1.27290475
     1          4.22411125          0.83408465          3.01124771
     1         -2.27539114         -1.53576762          4.54844518
     1          0.59446717         -0.46386802          5.88455571
     1          0.48775168         -3.39383512          4.29799428

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.142388D+01      0.361915D+01      0.120722D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.695417D+02      0.103050D+02      0.114659D+02
   yx        -0.149906D+01     -0.222138D+00     -0.247162D+00
   yy         0.741375D+02      0.109860D+02      0.122236D+02
   zx         0.178819D+01      0.264983D+00      0.294833D+00
   zy         0.195757D+01      0.290082D+00      0.322759D+00
   zz         0.887423D+02      0.131503D+02      0.146316D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.819186D+02      0.121391D+02      0.135066D+02
   aniso      0.187736D+02      0.278196D+01      0.309535D+01
   xx         0.734807D+02      0.108887D+02      0.121153D+02
   yx        -0.145892D+01     -0.216190D+00     -0.240544D+00
   yy         0.786777D+02      0.116588D+02      0.129722D+02
   zx         0.186710D+01      0.276676D+00      0.307844D+00
   zy         0.167911D+01      0.248818D+00      0.276847D+00
   zz         0.935975D+02      0.138697D+02      0.154321D+02

 ----------------------------------------------------------------------
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 LORD, MAN... WERE YE BUT WHYLES WHERE I AM, 
 THE GENTILES YE WAD NE'ER ENVY 'EM.        
 IT'S TRUE, THEY NEEDNA STARVE OR SWEAT,     
 THRO' WINTER'S CAULD OR SIMMER'S HEAT...  
 THEY'VE NAE SAIR WARK TO CRAZE THEIR BANES, 
 AND FILL AULD AGE WITH GRIPS AN' GRANES...  
                                             
 BUT HUMAN BODIES ARE SIC FOOLS              
 FOR A' THEIR COLLEGES AND SCHOOLS,           
 THAT WHEN NAE REAL ILLS PERPLEX THEM,       
 THEY MAK ENOW THEMSELVES TO VEX THEM,       
 AN' AYE THE LESS THEY HAE TO STURT THEM,    
 IN LIKE PROPORTION LESS WILL HURT THEM....  
                                             
                (ROBERT BURNS 'THE TWA DOGS')
 Job cpu time:       0 days  6 hours 18 minutes 36.0 seconds.
 Elapsed time:       0 days  0 hours 23 minutes 43.2 seconds.
 File lengths (MBytes):  RWF=    255 Int=      0 D2E=      0 Chk=     11 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 00:26:51 2021.
